CCCCCON=O
CAS: 463-04-7
Name: pentyl nitrite
SMILES: CCCCCON=O

Molecular Processing

Molecular formula
C5H11NO2
Molecular weight
117.15
Exact mass
117.079
XLogP
1.87
TPSA
38.66
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
8
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
1
Molar refractivity
31.27

Supplementary Information

InChIKey: CSDTZUBPSYWZDX-UHFFFAOYSA-N
Synonyme
Pentyl nitrite463-04-7n-Amyl nitriten-Pentyl nitriteNitrous acid, pentyl esterPentyl alcohol, nitriteDTXSID3024522H2HUX79FYKDTXCID804522CHEBI:55344RefChem:1094570207-332-7MFCD00036132Pentylnitritenitrous acid pentyl esterCCRIS 763EINECS 207-332-7UNII-H2HUX79FYKBRN 17012411-Pentyl Nitrite; Nitramyl; n-Amyl Nitrite; n-Pentyl Nitriten-pentylnitriteAI3-25184amyl 1 nitriteNITRITE DE PENTYLEPentyl nitrite, AldrichCPRSCHEMBL340654-01-00-01644 (Beilstein Handbook Reference)CHEMBL3188202HSDB 8468Tox21_202898
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