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Basic information
- CAS
26281-34-5- Standard SMILES
COC(=O)C1CCC[NH+]=C(N)N1.[Cl-]- InChIKey
TZSFAWOPLQFBMY-UHFFFAOYSA-N- Molecular formula
- C7H14ClN3O2
- Average molar mass
- 207.66 g/mol
- Monoisotopic mass
- 207.0774544
Names & identifiers
- Preferred name
- Methyl 2-imino-1,3-diazepane-4-carboxylate--hydrogen chloride (1/1)
- IUPAC
- methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepin-3-ium-7-carboxylate chloride
Names & synonyms
DTXSID40949141Methyl 2-imino-1,3-diazepane-4-carboxylate--hydrogen chloride (1/1)RefChem:1089338DTXCID90137734226281-34-5(-)-Hexahydro-2-imino-1H-1,3-diazepine-4-carboxylic acid methyl ester hydrochlorideOH 411H-1,3-Diazepine-4-carboxylic acid, hexahydro-2-imino-, methyl ester, monohydrochloride, (-)-
Database identifiers
- CAS
26281-34-5- PubChem CID
- 33465
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 203
Related reactions
0 records
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Compound notes
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