CAS 149-95-1 | 1,2-Benzenediol, 4-[(1S)-2-amino-1-hydroxyethyl]- | CAS Number 149-95-1

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149-95-1 | 1,2-Benzenediol, 4-[(1S)-2-amino-1-hydroxyethyl]-

CAS No: 149-95-1 Catalog No: AG001LBZ MDL No:

Product Description

Catalog Number:

AG001LBZ

Chemical Name:

1,2-Benzenediol, 4-[(1S)-2-amino-1-hydroxyethyl]-

CAS Number:

149-95-1

Molecular Formula:

C8H11NO3

Molecular Weight:

169.1778

IUPAC Name:

4-[(1S)-2-amino-1-hydroxyethyl]benzene-1,2-diol

InChI:

InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m1/s1

InChI Key:

SFLSHLFXELFNJZ-MRVPVSSYSA-N

SMILES:

NC[C@H](c1ccc(c(c1)O)O)O

EC Number:

205-750-4

UNII:

887AEE91JI

Properties

Complexity:

142

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

169.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

169.18g/mol

Monoisotopic Mass:

169.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.2

Literature

Title	Journal
Study on the use of boromycin as a chiral selector in capillary electrophoresis.	Journal of chromatography. A 20120511
Synthesis of C1-symmetric chiral secondary diamines and their applications in the asymmetric copper(II)-catalyzed Henry (nitroaldol) reactions.	The Journal of organic chemistry 20110121