CCCC1=CC=CC=C1N
CAS: 1821-39-2
Name: 2-propylaniline
SMILES: CCCC1=CC=CC=C1N

Molecular Processing

Molecular formula
C9H13N
Molecular weight
135.21
Exact mass
135.1048
XLogP
2.22
TPSA
26.02
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
44.85

Supplementary Information

InChIKey: WKURVXXDGMYSDP-UHFFFAOYSA-N
Synonyms
2-PropylanilineBenzenamine, 2-propyl-2-PROPYL-ANILINEo-PropylanilineANILINE, 2-PROPYL-o-Aminopropylbenzene1-Amino-2-propylbenzeneAniline, o-propyl-2-PropylbenzenamineEINECS 217-346-5BRN 0636589UNII-KDP5MSE5C0WKURVXXDGMYSDP-UHFFFAOYSA-DTXSID401712484-12-00-02580 (Beilstein Handbook Reference)oPropylaniline2nPropylanilineAniline, opropyl2PropylbenzenamineAniline, 2propyl1Amino2propylbenzeneBenzenamine, 2propylRefChem:89317Benzenamine, 2-propyl-(9CI)DTXCID3093739217-346-5InChI=1/C9H13N/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7H,2,5,10H2,1H3WKURVXXDGMYSDP-UHFFFAOYSA-N1821-39-22-n-Propylaniline
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Involved in 19 reactions→

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