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89479-93-6 | 2-Butanol, 1-[(phenylmethyl)amino]-, (S)-
CAS No: 89479-93-6 Catalog No: AG0041MK MDL No:
Product Description
Catalog Number:
AG0041MK
Chemical Name:
2-Butanol, 1-[(phenylmethyl)amino]-, (S)-
CAS Number:
89479-93-6
Molecular Formula:
C11H17NO
Molecular Weight:
179.2588
IUPAC Name:
(2S)-1-(benzylamino)butan-2-ol
InChI:
InChI=1S/C11H17NO/c1-2-11(13)9-12-8-10-6-4-3-5-7-10/h3-7,11-13H,2,8-9H2,1H3/t11-/m0/s1
InChI Key:
XHIGQRPMBZIQLS-NSHDSACASA-N
SMILES:
CC[C@@H](CNCc1ccccc1)O
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
179.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.263g/mol
Monoisotopic Mass:
179.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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