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88381-96-8 | Benzenemethanamine, N-[1-(1-methylethyl)-3-butenyl]-
CAS No: 88381-96-8 Catalog No: AG004M2A MDL No:
Product Description
Catalog Number:
AG004M2A
Chemical Name:
Benzenemethanamine, N-[1-(1-methylethyl)-3-butenyl]-
CAS Number:
88381-96-8
Molecular Formula:
C14H21N
Molecular Weight:
203.3232
IUPAC Name:
N-benzyl-2-methylhex-5-en-3-amine
InChI:
InChI=1S/C14H21N/c1-4-8-14(12(2)3)15-11-13-9-6-5-7-10-13/h4-7,9-10,12,14-15H,1,8,11H2,2-3H3
InChI Key:
ZISSMDFBWGWFPW-UHFFFAOYSA-N
SMILES:
C=CCC(C(C)C)NCc1ccccc1
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.167g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.329g/mol
Monoisotopic Mass:
203.167g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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