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130194-42-2 | Benzenemethanol, α-(2-aminoethyl)-, (αS)-
CAS No: 130194-42-2 Catalog No: AG000U3R MDL No:MFCD01862114
Product Description
Catalog Number:
AG000U3R
Chemical Name:
Benzenemethanol, α-(2-aminoethyl)-, (αS)-
CAS Number:
130194-42-2
Molecular Formula:
C9H13NO
Molecular Weight:
151.2056
MDL Number:
MFCD01862114
IUPAC Name:
(1S)-3-amino-1-phenylpropan-1-ol
InChI:
InChI=1S/C9H13NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m0/s1
InChI Key:
PHIYHIOQVWTXII-VIFPVBQESA-N
SMILES:
NCC[C@@H](c1ccccc1)O
Properties
Complexity:
99.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
151.1g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
151.209g/mol
Monoisotopic Mass:
151.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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