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2-Amino-7-(methoxycarbonyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-3-ium chloride

ChemSpider ID: 30889
Molecular Formula: C₇H₁₄ClN₃O₂
Average mass: 207.658005 Da
Monoisotopic mass: 207.077454 Da
Systematic name

2-Amino-7-(methoxycarbonyl)-4,5,6,7-tetrahydro-1H-1,3-diazepin-3-ium chloride
SMILES and InChIs

SMILES:

[Cl-].O=C(OC)C1NC(\N)=[NH+]/CCC1 Copied

Std. InChI:

InChI=1S/C7H13N3O2.ClH/c1-12-6(11)5-3-2-4-9-7(8)10-5;/h5H,2-4H2,1H3,(H3,8,9,10);1H Copied

Std. InChIKey:

TZSFAWOPLQFBMY-UHFFFAOYSA-N Copied
Cite this record
CSID:30889, http://www.chemspider.com/Chemical-Structure.30889.html (accessed 14:07, May 25, 2012) Copied

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

1H-1,3-DIAZEPINE-4-CARBOXYLIC ACID, HEXAHYDRO-2-IMINO-, METHYL ESTER, MONOHYDROC

26281-34-5 [RN]

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

OH 41 [DBID]

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

Click to predict properties on the Chemicalize site

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