UCSF

ZINC04072653

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 8 Yes

Popular Name: trans-4-Aminocyclohexanol trans-4-Aminocyclohexanol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 247489-62-9 , 27489-62-9 , 40525-78-8 , 50910-54-8 , 56239-26-0 , 6850-65-3 , 6982-39-4 , 76445-65-3 , [27489-62-9] , [50910-54-8] , [56239-26-0] , [6850-65-3]

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) -0.52 -1.36 -46.4 4 2 1 48 116.184 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 110° Fluorochem
Mp [°C] 108 - 113 Acros Organics
MP 109 - 111 Enamine Building Blocks
MP 109...111 Enamine Building Blocks
MP 110 TCI
Melting_Point 110-113? Alfa-Aesar
Melting_Point 110-113° Alfa-Aesar
MP 110° Matrix Scientific
BP 127 / 14 TCI
MP 225 - 227 Enamine Building Blocks
MP 225-227° Oakwood Chemical
Melting_Point 225-230? Alfa-Aesar
Melting_Point 225-230° Alfa-Aesar
MP 225...227 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Purity 98% Matrix Scientific
Hazard C: Corrosive Acros Organics
H phrase H314: Causes severe skin burns and eye damage Acros Organics
H phrase H314: Causes severe skin burns and eye damage; H318: Causes serious eye damage Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting Acros Organics
P phrase P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear 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 r Acros Organics
R phrase R34: Causes burns. 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

Activity (Go SEA)

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