UCSF

ZINC00037777

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

Popular Name: 2-piperidinoaniline 2-piperidinoaniline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 39643-31-7 , [39643-31-7]

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) 2.38 -2.2 -2.06 2 2 0 29 176.263 1 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 44 - 48 Acros Organics
Melting_Point 44-47? Alfa-Aesar
Melting_Point 44-47° Alfa-Aesar
MP 45 - 47 Enamine Building Blocks
MP 45-46° Matrix Scientific
MP 45...47 Enamine Building Blocks
BP 76-77°/0.4 Torr Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
BP [°C] 96 (p=1 torr) Acros Organics
Boiling_Point 96-98?/1mm Alfa-Aesar
Boiling_Point 96-98°/1mm Alfa-Aesar
H phrase H302: Harmful if swallowed Acros Organics
H phrase H302: Harmful if swallowed; H332: Harmful if inhaled; H312: Harmful in contact with skin Acros Organics
Warnings IRRITANT Matrix Scientific
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
PUBCHEM_PATENT_ID USRE30199 IBM Patent Data
Hazard XN: Harmful Acros Organics

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