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88505-32-2 | Benzenemethanamine, N-methyl-N-(3-methyl-2-butenyl)-
CAS No: 88505-32-2 Catalog No: AG00491O MDL No:
Product Description
Catalog Number:
AG00491O
Chemical Name:
Benzenemethanamine, N-methyl-N-(3-methyl-2-butenyl)-
CAS Number:
88505-32-2
Molecular Formula:
C13H19N
Molecular Weight:
189.2967
IUPAC Name:
N-benzyl-N,3-dimethylbut-2-en-1-amine
InChI:
InChI=1S/C13H19N/c1-12(2)9-10-14(3)11-13-7-5-4-6-8-13/h4-9H,10-11H2,1-3H3
InChI Key:
ONRZPTIAKMQCOD-UHFFFAOYSA-N
SMILES:
CN(Cc1ccccc1)CC=C(C)C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.152g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.302g/mol
Monoisotopic Mass:
189.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
3.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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