UCSF

ZINC00152526

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 10 Yes

Popular Name: 4-Aminobenzyl cyanide 4-Aminobenzyl cyanide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2973-50-4 , 3457-99-6 , 3544-25-0 , [3544-25-0]

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 0.98 3.54 -7.88 2 2 0 50 132.166 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 16 - 18 Enamine Building Blocks
MP 16...18 Enamine Building Blocks
BP [°C] 312 Acros Organics
Boiling_Point 312? Alfa-Aesar
Boiling_Point 312° Alfa-Aesar
Mp [°C] 42 - 46 Acros Organics
Melting_Point 42-46? Alfa-Aesar
Melting_Point 42-46° Alfa-Aesar
MP 46 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% APIChem
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H312: Harmful in contact with skin; H332: Harmful if inhaled Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P304 + P340: IF INHALED: R Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
S phrase S36/37: Wear suitable protective clothing and gloves. Acros Organics
Hazard XN: Harmful Acros Organics

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