UCSF

ZINC00035765

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2005 15 No

Popular Name: (1R,2R)-(-)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol (1R,2R)-(-)-2-Amino-1-(4-nitroph…

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CAS Numbers: 119-62-0 , 2964-48-9 , 716-61-0 , [119-62-0] , [716-61-0]

Other Names:

((p-Chlorophenyl)sulfonyl)acetic acid compd. with 2-amino-1-(p-nitrophenyl)-1,3-propanediol; Acetic acid, ((p-chlorophenyl)sulfonyl)-, compd. with 2-amino-1-(p-nitrophenyl)-1,3-propanediol (1:1); LS-11416

(1R,2R)-2-Amino-1-(4-nitrophenyl)propane-1,3-diol

(1R,2R)-2-amino-1-(4-nitrophenyl)propane-1,3-diol hydrochloride

(1R,2R)-2-amino-1-(4-nitrophenyl)propane-1,3-diol nitrate

(1R,2R)-2-Amino-1-(4-nitrophenyl)propane-1,3-diol, 96%

(1S,2S)-2-Amino-1-(4-Nitrophenyl)Propane-1,3-Diol

(R,R)-2-amino-1-(4-nitrophenyl)propane-1,3-diol

1,3-propanediol, 2-amino-1-(4-nitrophenyl)-

1,3-propanediol, 2-amino-1-(4-nitrophenyl)-, (1R,2R)-

1,3-propanediol, 2-amino-1-(4-nitrophenyl)-, (1R,2R)-, hydrochloride

1,3-propanediol, 2-amino-1-(4-nitrophenyl)-, (1R,2R)-, nitrate (1:1) (salt)

1,3-propanediol, 2-amino-1-(4-nitrophenyl)-, (1R,2R)-, nitrate(1:1)

1,3-Propanediol, 2-amino-1-(p-nitrophenyl)-, D-threo-(-)-; Chloramphenicol base; D-(-)Threo-2-amino-1-(p-nitrophenyl)propane-1,3-diol; D-threo-(-)-2-Amino-1-(p-nitrophenyl)-1,3-propanediol; EINECS 211-938-7; LS-120138; Levoamine

2-Amino-1- -1,3-propanediol

2-Amino-1-(4-nitrophenyl)-1,3-propanediol

2-amino-1-(4-nitrophenyl)propane-1,3-diol

2-amino-1-(4-nitrophenyl)propane-1,3-diol hydrochloride

2-amino-1-(4-nitrophenyl)propane-1,3-diol nitrate (salt)

AMINONITROPHENYLPROPANEDIO

D-(-)-Threo-1-(4-nitrophenyl)-2-amino-1,3-propanediol

D-(-)-threo-2-Amino-1-(4-nitrophenyl)-1,3-propanediol

LS-192463

MFCD00066778

MFCD00078126

MFCD00184194

MFCD00222001

N/A

NA

OR-3604

Download: MOL2 SDF SMILES Flexibase

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Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.68 -1.29 -53.75 5 6 1 114 213.213 4 ↓
Mid Mid (pH 6-8) -0.68 -1.54 -9 4 6 0 112 212.205 4 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 160 - 166 Acros Organics
MP 160-165° Oakwood Chemical
MP 163 TCI
MP 163 - 166 Enamine Building Blocks
MP 163...166 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
H phrase H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics
Hazard XI: Irritant Acros Organics

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Analogs ( Draw Identity 99% 90% 80% 70% )