200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 1172064-06-0
1172064-06-0 | 1H-1,4-Diazepine, hexahydro-1-(3-methyl-4-nitrophenyl)-, hydrochloride (1:1)
CAS No: 1172064-06-0 Catalog No: AG000DXC MDL No:MFCD08692410
Product Description
Catalog Number:
AG000DXC
Chemical Name:
1H-1,4-Diazepine, hexahydro-1-(3-methyl-4-nitrophenyl)-, hydrochloride (1:1)
CAS Number:
1172064-06-0
Molecular Formula:
C12H18ClN3O2
Molecular Weight:
271.7432
MDL Number:
MFCD08692410
IUPAC Name:
1-(3-methyl-4-nitrophenyl)-1,4-diazepane;hydrochloride
InChI:
InChI=1S/C12H17N3O2.ClH/c1-10-9-11(3-4-12(10)15(16)17)14-7-2-5-13-6-8-14;/h3-4,9,13H,2,5-8H2,1H3;1H
InChI Key:
QDDCVBUUWCHAIW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1C)N1CCNCCC1.Cl
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.109g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
271.745g/mol
Monoisotopic Mass:
271.109g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.