UCSF

ZINC01531085

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 12 No

Popular Name: N-Dodecane N-Dodecane

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CAS Number: 112-40-3

Download: MOL2 SDF SMILES Flexibase

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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) 6.69 2.56 0.06 0 0 0 0 170.34 9 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 10? Alfa-Aesar
Melting_Point 10° Alfa-Aesar
Mp [°C] 12 Acros Organics
ALOGPS_SOLUBILITY 1.76e-04 g/l DrugBank-experimental
BP [°C] 215 - 217 Acros Organics
Boiling_Point 215-217? Alfa-Aesar
Boiling_Point 215-217° Alfa-Aesar
Patent Database Links EP1132383; EP1520579; EP1707178; EP1923473; US2002019521; US2003029712; US2005154057; US2006286061; US2007189998; US2007189999; US2007196894; US2008233622; WO2005014569; WO2005037784; WO2005047230; WO2007095316; WO2007097593; WO2007112967 ChEBI
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 P310: Immediately call a POISON CENTER or doctor/physician Acros Organics
R phrase R20: Harmful by inhalation. 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 S23: Do not breathe gas/fumes/vapour/spray. Acros Organics
PUBCHEM_PATENT_ID US4851386 IBM Patent Data
PUBCHEM_PATENT_ID US5324812 IBM Patent Data
PUBCHEM_PATENT_ID WO2000033843A1 IBM Patent Data
Hazard XN: Harmful Acros Organics

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