methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate

CAS: 26281-63-0

Molecular Formula	`C7H13N3O2`
Molecular Weight	171.2 g/mol
LogP	-0.7
Topological Polar Surface Area	76.7 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	2
Exact Mass	171.10077
Heavy Atoms	12
Complexity	203.0

Chemical Identifiers

CAS Number	26281-63-0
SMILES	`COC(=O)C1CCCN=C(N1)N`
InChIKey	`AQLXUCVFVMSEPD-UHFFFAOYSA-N`

📖 Product Overview

methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate (CAS: 26281-63-0) is a chemical compound with molecular formula C7H13N3O2 and molecular weight 171.2 g/mol. Its IUPAC systematic name is methyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate. LogP -0.7 Topological Polar Surface Area 76.7 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 3 Rotatable Bonds 2 Exact Mass 171.10077 Heavy Atoms 12 Complexity 203.0 InChI Key: AQLXUCVFVMSEPD-UHFFFAOYSA-N. SMILES: COC(=O)C1CCCN=C(N1)N.

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