UCSF

ZINC01531089

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 15 No

Popular Name: Pentadecane Pentadecane

Find On: PubMed — Wikipedia — Google

CAS Number: 629-62-9

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) 8.20 2.92 0.11 0 0 0 0 212.421 12 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 269-270? Alfa-Aesar
Boiling_Point 269-270° Alfa-Aesar
BP [°C] 270 Acros Organics
ALOGPS_SOLUBILITY 3.57e-05 g/l DrugBank-experimental
Melting_Point 9-10? Alfa-Aesar
Melting_Point 9-10° Alfa-Aesar
Mp [°C] 9.9 Acros Organics
UniProt Database Links AAR_SYNE7; AAR_SYNY3; ALDEC_NOSP7; ALDEC_PROMM; ALDEC_SYNE7; ALDEC_SYNY3 ChEBI
PUBCHEM_PATENT_ID EP0307886A2 IBM Patent Data
H phrase H304: May be fatal if swallowed and enters airways Acros Organics
H phrase H304: May be fatal if swallowed and enters airways; EUH066: Repeated exposure may cause skin dryness or cracking Acros Organics
P phrase P301+ P310: IF SWALLOWED: Immediately call a POISON CENTRE or doctor/physician Acros Organics
P phrase P301+ P310: IF SWALLOWED: Immediately call a POISON CENTRE or doctor/physician; P331: Do NOT induce vomiting Acros Organics
R phrase R65: Harmful: may cause lung damage if swallowed. Acros Organics
R phrase R65: Harmful: may cause lung damage if swallowed.; R66: Repeated exposure may cause skin dryness or cracking. Acros Organics
S phrase S62: If swallowed, do not induce vomiting: seek medical advice immediately and show this container or label. Acros Organics
Patent Database Links US2002077316; US2008233622; WO2007106049 ChEBI
Hazard XN: Harmful Acros Organics

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