ISOPROPYL NITRATE
C₃H₇NO₃·105.090 g/mol·CID 15575
IUPAC: propan-2-yl nitrate
Also known as: 1712-64-7, Nitric acid, 1-methylethyl ester, Nitric acid, isopropyl ester, Isopropylester kyseliny dusicne, UPE48E4UJ4 (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
105.090g/mol
Exact Mass
105.042593Da
Monoisotopic Mass
105.042593Da
XLogP
1.3
Polar Surface Area
55.1Ų
Complexity
65
Formal Charge
0
H-Bond Donors
0
H-Bond Acceptors
3
Rotatable Bonds
1
Heavy Atoms
7
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 105.1 g/mol
MW ≤ 500
✓ 1.3
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 vapor
Source: PubChem GHS Classification. Always consult the SDS for handling.