UCSF

ZINC08437671

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2006 4 Yes

Popular Name: Cyclopropylamine Cyclopropylamine

Find On: PubMed — Wikipedia — Google

CAS Number: 765-30-0

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) 0.09 -2.35 -37.29 3 1 1 27 58.104 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 10? Alfa-Aesar
Melting_Point 10° Alfa-Aesar
Mp [°C] 50 Acros Organics
UniProt Database Links 1A110_ARATH; 1A111_ARATH; 1A112_ARATH; 1A11_ARATH; 1A11_CUCMA; 1A11_CUCPE; 1A11_ORYSI; 1A11_ORYSJ; 1A11_PRUMU; 1A12_ARATH; 1A12_CUCMA; 1A12_CUCPE; 1A12_SOLLC; 1A13_SOLLC; 1A14_ARATH; 1A14_SOLLC; 1A15_ARATH; 1A16_ARATH; 1A17_ARATH; 1A18_ARATH; 1A19_ARATH ChEBI
BP [°C] 49 - 50 Acros Organics
Boiling_Point 49-50? Alfa-Aesar
Boiling_Point 49-50° Alfa-Aesar
Hazard F: Highly flammable Acros Organics
Hazard F: Highly flammable; C: Corrosive Acros Organics
H phrase H332: Harmful if inhaled Acros Organics
H phrase H332: Harmful if inhaled; H302: Harmful if swallowed; H318: Causes serious eye damage; H314: Causes severe skin burns and eye damage; H312: Harmful in contact with skin; H225: Highly flammable liquid and vapor 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; 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 Acros Organics
R phrase R11: Highly flammable. Acros Organics
R phrase R11: Highly flammable.; R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R34: Causes burns. Acros Organics
Reactome Database Links REACT_121193 ChEBI
S phrase S16: Keep away from sources of ignition - No smoking. Acros Organics
S phrase S16: Keep away from sources of ignition - No smoking.; 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 accid Acros Organics

Activity (Go SEA)

Direct Reactome Annotations (via ChEBI)

Description Species
Abacavir metabolism

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

No pre-computed analogs available. Try a structural similarity search.