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869941-99-1 | (4-ETHYLBENZYL)PROPYLAMINE
CAS No: 869941-99-1 Catalog No: AG004KSH MDL No:MFCD04563984
Product Description
Catalog Number:
AG004KSH
Chemical Name:
(4-ETHYLBENZYL)PROPYLAMINE
CAS Number:
869941-99-1
Molecular Formula:
C12H19N
Molecular Weight:
177.2860
MDL Number:
MFCD04563984
IUPAC Name:
N-[(4-ethylphenyl)methyl]propan-1-amine
InChI:
InChI=1S/C12H19N/c1-3-9-13-10-12-7-5-11(4-2)6-8-12/h5-8,13H,3-4,9-10H2,1-2H3
InChI Key:
WNAKIBVJACHNRU-UHFFFAOYSA-N
SMILES:
NCCCCc1ccc(cc1)CC
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.152g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.291g/mol
Monoisotopic Mass:
177.152g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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