Pentyl nitrite
C₅H₁₁NO₂·117.150 g/mol·CID 10026
IUPAC: pentyl nitrite
Also known as: 463-04-7, n-Amyl nitrite, n-Pentyl nitrite, Nitrous acid, pentyl ester, Pentyl alcohol, nitrite (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
117.150g/mol
Exact Mass
117.078979Da
Monoisotopic Mass
117.078979Da
XLogP
1.8
Polar Surface Area
38.7Ų
Complexity
56
Formal Charge
0
H-Bond Donors
0
H-Bond Acceptors
3
Rotatable Bonds
4
Heavy Atoms
8
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 117.2 g/mol
MW ≤ 500
✓ 1.8
LogP ≤ 5
✓ 0
H-bond donors ≤ 5
✓ 3
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Danger
Hazards
H225Highly Flammable liquid and vaporH302Harmful if swallowedH332Harmful if inhaledH314Causes severe skin burns and eye damageH317May cause an allergic skin reactionH318Causes serious eye damageH341Suspected of causing genetic defectsH400Very toxic to aquatic life
Source: PubChem GHS Classification. Always consult the SDS for handling.
Isomers8 compounds with formula C₅H₁₁NO₂
3-methylbutyl nitrite
CID 8053 · 117.2 g/mol
2-(trimethylazaniumyl)acetate
CID 247 · 117.2 g/mol
(2S)-2-amino-3-methylbutanoic acid
CID 6287 · 117.2 g/mol
5-aminopentanoic acid
CID 138 · 117.2 g/mol
2-amino-3-methylbutanoic acid
CID 1182 · 117.2 g/mol
(2R)-2-amino-3-methylbutanoic acid
CID 71563 · 117.2 g/mol
(2S)-2-aminopentanoic acid
CID 65098 · 117.2 g/mol
butyl carbamate
CID 11596 · 117.2 g/mol