Home Halogens 2-Propanol, 1-chloro-3-[(phenylmethyl)amino]-, (S)-

2-Propanol, 1-chloro-3-[(phenylmethyl)amino]-, (S)-

CAS No.:
198755-87-2
Catalog Number:
AG00ABQK
Molecular Formula:
C10H14ClNO
Molecular Weight:
199.6773
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Product Description
Catalog Number:
AG00ABQK
Chemical Name:
2-Propanol, 1-chloro-3-[(phenylmethyl)amino]-, (S)-
CAS Number:
198755-87-2
Molecular Formula:
C10H14ClNO
Molecular Weight:
199.6773
MDL Number:
MFCD29984752
IUPAC Name:
1-(benzylamino)-3-chloropropan-2-ol
InChI:
InChI=1S/C10H14ClNO/c11-6-10(13)8-12-7-9-4-2-1-3-5-9/h1-5,10,12-13H,6-8H2
InChI Key:
XNPBVLLNKJHQAO-UHFFFAOYSA-N
SMILES:
ClC[C@H](CNCc1ccccc1)O
Properties
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.076g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
199.678g/mol
Monoisotopic Mass:
199.076g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties