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71510-64-0 | Butanenitrile,4-[(phenylmethyl)amino]-
CAS No: 71510-64-0 Catalog No: AG005H4S MDL No:MFCD11150637
Product Description
Catalog Number:
AG005H4S
Chemical Name:
Butanenitrile,4-[(phenylmethyl)amino]-
CAS Number:
71510-64-0
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
MDL Number:
MFCD11150637
IUPAC Name:
4-(benzylamino)butanenitrile
InChI:
InChI=1S/C11H14N2/c12-8-4-5-9-13-10-11-6-2-1-3-7-11/h1-3,6-7,13H,4-5,9-10H2
InChI Key:
NZJWITSLFKTATC-UHFFFAOYSA-N
SMILES:
N#CCCCNCc1ccccc1
EC Number:
275-588-7
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.116g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.247g/mol
Monoisotopic Mass:
174.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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