# trimethylglycine

- Molecular FormulaC
_{5}H_{11}NO_{2} - Average mass117.146 Da
- Monoisotopic mass117.078979 Da

1-Carboxy-N,N,N-trimethylmethanaminium

**(Carboxymethyl)trim**ethylammonium hydroxide inner salt

**(Carboxymethyl)trim**ethylammonium inner salt

**(Trimethylammonio)a**cetat [German] [ACD/IUPAC Name]

**(Trimethylammonio)a**cetate [ACD/IUPAC Name]

**(Triméthylammonio)a**cétate [French] [ACD/IUPAC Name]

**107-43-7**[RN]

**1-Carboxy-N,N,N-tri**methylmethanaminium Hydroxide Inner Salt

**203-490-6**[EINECS]

**3537113**[Beilstein]

**3SCV180C9W**[DBID]

14290_FLUKA
[DBID]

18472_FLUKA
[DBID]

61962_FLUKA
[DBID]

AI3-24187
[DBID]

AI3-52598
[DBID]

B0300_SIGMA
[DBID]

B2629_SIGMA
[DBID]

bmse000069
[DBID]

BRN 3537113
[DBID]

- Experimental Physico-chemical Properties
- Miscellaneous

**Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module**

Density: | |

Boiling Point: | |

Vapour Pressure: | |

Enthalpy of Vaporization: | |

Flash Point: | |

Index of Refraction: | |

Molar Refractivity: | |

#H bond acceptors: | 3 |

#H bond donors: | 1 |

#Freely Rotating Bonds: | 2 |

#Rule of 5 Violations: | 0 |

**Predicted data is generated using the US Environmental Protection Agency’s EPISuite™**

Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = -4.93 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 391.94 (Adapted Stein & Brown method) Melting Pt (deg C): 160.32 (Mean or Weighted MP) VP(mm Hg,25 deg C): 1.36E-008 (Modified Grain method) MP (exp database): 293 dec deg C Subcooled liquid VP: 1.3E-005 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 1e+006 log Kow used: -4.93 (estimated) no-melting pt equation used Water Sol (Exper. database match) = 6.11e+005 mg/L (19 deg C) Exper. Ref: YALKOWSKY,SH & DANENFELSER,RM (1992) Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 1.0037e+005 mg/L Wat Sol (Exper. database match) = 611000.00 Exper. Ref: YALKOWSKY,SH & DANENFELSER,RM (1992) ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics-acid Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 6.19E-016 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 2.114E-015 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: -4.93 (KowWin est) Log Kaw used: -13.597 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 8.667 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.7640 Biowin2 (Non-Linear Model) : 0.8780 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 3.3027 (days-weeks ) Biowin4 (Primary Survey Model) : 4.0628 (days ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : 0.5832 Biowin6 (MITI Non-Linear Model): 0.7295 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): 0.3724 Ready Biodegradability Prediction: YES Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 0.00173 Pa (1.3E-005 mm Hg) Log Koa (Koawin est ): 8.667 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 0.00173 Octanol/air (Koa) model: 0.000114 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 0.0588 Mackay model : 0.122 Octanol/air (Koa) model: 0.00904 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 10.8291 E-12 cm3/molecule-sec Half-Life = 0.988 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 11.853 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 0.0902 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 1.557 Log Koc: 0.192 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: -4.93 (estimated) Volatilization from Water: Henry LC: 6.19E-016 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.028E+012 hours (4.284E+010 days) Half-Life from Model Lake : 1.122E+013 hours (4.673E+011 days) Removal In Wastewater Treatment: Total removal: 1.85 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.75 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 8.81e-008 23.7 1000 Water 34.5 208 1000 Soil 65.5 416 1000 Sediment 0.0596 1.87e+003 0 Persistence Time: 387 hr

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