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374790-92-8 | (S)-N-(1-Phenylethyl)pentan-3-amine hydrochloride
CAS No: 374790-92-8 Catalog No: AG003CEA MDL No:
Product Description
Catalog Number:
AG003CEA
Chemical Name:
(S)-N-(1-Phenylethyl)pentan-3-amine hydrochloride
CAS Number:
374790-92-8
Molecular Formula:
C13H22ClN
Molecular Weight:
227.7735
IUPAC Name:
N-[(1S)-1-phenylethyl]pentan-3-amine;hydrochloride
InChI:
InChI=1S/C13H21N.ClH/c1-4-13(5-2)14-11(3)12-9-7-6-8-10-12;/h6-11,13-14H,4-5H2,1-3H3;1H/t11-;/m0./s1
InChI Key:
RKPRPVRHVBFULB-MERQFXBCSA-N
SMILES:
CCC(N[C@H](c1ccccc1)C)CC.Cl
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
227.144g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.776g/mol
Monoisotopic Mass:
227.144g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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