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116297-12-2 | Benzenemethanamine, α-methyl-N-(1-methylethyl)-, hydrochloride (1:1), (αS)-
CAS No: 116297-12-2 Catalog No: AG000C5H MDL No:MFCD06011753
Product Description
Catalog Number:
AG000C5H
Chemical Name:
Benzenemethanamine, α-methyl-N-(1-methylethyl)-, hydrochloride (1:1), (αS)-
CAS Number:
116297-12-2
Molecular Formula:
C11H18ClN
Molecular Weight:
199.7203
MDL Number:
MFCD06011753
IUPAC Name:
N-[(1S)-1-phenylethyl]propan-2-amine;hydrochloride
InChI:
InChI=1S/C11H17N.ClH/c1-9(2)12-10(3)11-7-5-4-6-8-11;/h4-10,12H,1-3H3;1H/t10-;/m0./s1
InChI Key:
SVRDLWQPQZOASL-PPHPATTJSA-N
SMILES:
C[C@@H](c1ccccc1)NC(C)C.Cl
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
199.113g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.722g/mol
Monoisotopic Mass:
199.113g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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