200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1219532-80-5
1219532-80-5 | 1H-1,4-Diazepine-2-carboxylic acid, hexahydro-, methyl ester
CAS No: 1219532-80-5 Catalog No: AG0016G8 MDL No:
Product Description
Catalog Number:
AG0016G8
Chemical Name:
1H-1,4-Diazepine-2-carboxylic acid, hexahydro-, methyl ester
CAS Number:
1219532-80-5
Molecular Formula:
C7H14N2O2
Molecular Weight:
158.1983
IUPAC Name:
methyl 1,4-diazepane-2-carboxylate
InChI:
InChI=1S/C7H14N2O2/c1-11-7(10)6-5-8-3-2-4-9-6/h6,8-9H,2-5H2,1H3
InChI Key:
RJXUBTXXVKZZPI-UHFFFAOYSA-N
SMILES:
COC(=O)C1CNCCCN1
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.106g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.201g/mol
Monoisotopic Mass:
158.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.