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1260587-77-6 | 1-Propanol, 3-amino-2-[(phenylmethyl)amino]-, (2S)-
CAS No: 1260587-77-6 Catalog No: AG000QUU MDL No:MFCD06658298
Product Description
Catalog Number:
AG000QUU
Chemical Name:
1-Propanol, 3-amino-2-[(phenylmethyl)amino]-, (2S)-
CAS Number:
1260587-77-6
Molecular Formula:
C10H16N2O
Molecular Weight:
180.2468
MDL Number:
MFCD06658298
IUPAC Name:
(2S)-3-amino-2-(benzylamino)propan-1-ol
InChI:
InChI=1S/C10H16N2O/c11-6-10(8-13)12-7-9-4-2-1-3-5-9/h1-5,10,12-13H,6-8,11H2/t10-/m0/s1
InChI Key:
OFWZWVVLWDIRJQ-JTQLQIEISA-N
SMILES:
NC[C@H](NCc1ccccc1)CO
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
180.126g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
180.251g/mol
Monoisotopic Mass:
180.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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