UCSF

ZINC01700200

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 12 No

Popular Name: N,N-Dimethyl-3-nitroaniline N,N-Dimethyl-3-nitroaniline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 619-31-8 , 63467-70-9 , [619-31-8]

Download: MOL2 SDF SMILES Flexibase

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) 1.98 5.56 -7.25 0 4 0 49 166.18 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 280 TCI
Mp [°C] 57 - 61 Acros Organics
Melting_Point 57-60? Alfa-Aesar
Melting_Point 57-60° Alfa-Aesar
MP 57-61 °C Indofine
MP 60 TCI
MP 60-61o C Indofine
Purity 95% Fluorochem
H phrase H302: Harmful if swallowed; H312: Harmful in contact with skin; H332: Harmful if inhaled Acros Organics
H phrase H315: Causes skin irritation Acros Organics
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician Acros Organics
P phrase P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/ Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R23/24/25: Toxic by inhalation, in contact with skin and if swallowed. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
SOLUBILITY Soluble in Chloroform Indofine
Hazard T: Toxic Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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