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88381-95-7 | Benzenemethanamine, N-(1-methyl-3-butenyl)-
CAS No: 88381-95-7 Catalog No: AG004M2B MDL No:
Product Description
Catalog Number:
AG004M2B
Chemical Name:
Benzenemethanamine, N-(1-methyl-3-butenyl)-
CAS Number:
88381-95-7
Molecular Formula:
C12H17N
Molecular Weight:
175.2701
IUPAC Name:
N-benzylpent-4-en-2-amine
InChI:
InChI=1S/C12H17N/c1-3-7-11(2)13-10-12-8-5-4-6-9-12/h3-6,8-9,11,13H,1,7,10H2,2H3
InChI Key:
XNFSJJMFFMCCMG-UHFFFAOYSA-N
SMILES:
C=CCC(NCc1ccccc1)C
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.275g/mol
Monoisotopic Mass:
175.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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