Home Other Building Blocks (1-benzylazepan-3-yl)methanamine

(1-benzylazepan-3-yl)methanamine

CAS No.:
1780225-11-7
Catalog Number:
AG01BBJG
Molecular Formula:
C14H22N2
Molecular Weight:
218.3379
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Product Description
Catalog Number:
AG01BBJG
Chemical Name:
(1-benzylazepan-3-yl)methanamine
CAS Number:
1780225-11-7
Molecular Formula:
C14H22N2
Molecular Weight:
218.3379
MDL Number:
MFCD22395760
IUPAC Name:
(1-benzylazepan-3-yl)methanamine
InChI:
InChI=1S/C14H22N2/c15-10-14-8-4-5-9-16(12-14)11-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12,15H2
InChI Key:
GKDRMOQJXZGUAV-UHFFFAOYSA-N
SMILES:
NCC1CCCCN(C1)Cc1ccccc1
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.178g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.344g/mol
Monoisotopic Mass:
218.178g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties