Butyl carbamate
C₅H₁₁NO₂·117.150 g/mol·CID 11596
IUPAC: butyl carbamate
Also known as: 592-35-8, N-BUTYL CARBAMATE, Carbamic acid, butyl ester, USAF FO-1, USAF EL-101 (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
117.150g/mol
Exact Mass
117.078979Da
Monoisotopic Mass
117.078979Da
XLogP
0.8
Polar Surface Area
52.3Ų
Complexity
72
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
2
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
✓ 0.8
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 2
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Danger
Hazards
H302Harmful if swallowedH317May cause an allergic skin reactionH318Causes serious eye damageH341Suspected of causing genetic defectsH351Suspected of causing cancer
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
pentyl nitrite
CID 10026 · 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