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30315-46-9 | 1,2-Propanediol, 3-[(1,1-dimethylethyl)amino]-, (2S)-
CAS No: 30315-46-9 Catalog No: AG002ZOO MDL No:MFCD00190165
Product Description
Catalog Number:
AG002ZOO
Chemical Name:
1,2-Propanediol, 3-[(1,1-dimethylethyl)amino]-, (2S)-
CAS Number:
30315-46-9
Molecular Formula:
C7H17NO2
Molecular Weight:
147.2154
MDL Number:
MFCD00190165
IUPAC Name:
(2S)-3-(tert-butylamino)propane-1,2-diol
InChI:
InChI=1S/C7H17NO2/c1-7(2,3)8-4-6(10)5-9/h6,8-10H,4-5H2,1-3H3/t6-/m0/s1
InChI Key:
JWBMVCAZXJMSOX-LURJTMIESA-N
SMILES:
OC[C@H](CNC(C)(C)C)O
EC Number:
250-125-1
UNII:
ZUW27BJS8S
Properties
Complexity:
88.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
147.126g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
147.218g/mol
Monoisotopic Mass:
147.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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