UCSF

ZINC00402850

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 10 Yes

Popular Name: 3-(N,N-DIMETHYLAMINO)ANILINE 3-(N,N-DIMETHYLAMINO)ANILINE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 124623-36-5 , 26513-20-2 , 2836-04-6 , 3575-32-4 , [2836-04-6]

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) 1.09 2.76 -3.84 2 2 0 29 136.198 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 216? dec. Alfa-Aesar
Melting_Point 216° dec. Alfa-Aesar
Mp [°C] 217 Acros Organics
MP 217 - 219 Enamine Building Blocks
MP 217...219 Enamine Building Blocks
MP 218 - 220 Enamine Building Blocks
MP 218...220 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
H phrase H311: Toxic in contact with skin Acros Organics
H phrase H311: Toxic in contact with skin; H335: May cause respiratory irritation; H315: Causes skin irritation; H331: Toxic if inhaled; H319: Causes serious eye irritation; H301: Toxic if swallowed 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; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P350: IF ON SKIN: G Acros Organics
R phrase R23/24/25: Toxic 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.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediat Acros Organics
Hazard T: Toxic Acros Organics

Activity (Go SEA)

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