5-Norbonene-2-methanamine

C₈H₁₃NCAS 95-10-3123.20 g/mol

Open in Covalent MOL file

Alkene Primary amine

Properties

Molecular formula: C₈H₁₃N
Molar mass: 123.20 g/mol
Exact mass: 123.1048 Da
logP: 1.16Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

95-10-3

SMILES

C1C2CC(C1C=C2)CN

InChIKey

XLBALIGLOMYEKN-UHFFFAOYSA-N

InChI

InChI=1S/C8H13N/c9-5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5,9H2

Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR

Predicted ¹H NMR (400 MHz, CDCl₃) δ 5.66 (m, J = 6.8, 5.5 Hz, 1H), 5.66 (m, J = 6.8, 5.5 Hz, 1H), 2.68 (d, J = 7.0 Hz, 2H), 2.26 (sext, J = 7.0 Hz, 1H), 2.26 (quint, J = 7.0 Hz, 1H), 1.85 (sext, J = 7.0 Hz, 1H), 1.71 (t, J = 7.0 Hz, 2H), 1.61 (t, J = 7.0 Hz, 2H), 1.20 (br s, 2H).

¹³C NMR

Predicted ¹³C NMR (101 MHz, CDCl₃) δ 134.1, 134.1, 46.6, 46.1, 44.7, 39.6, 36.1, 34.8.

[M + H]+

[M + H]+ Calcd for C8H14N 124.1121

[M + Na]+

[M + Na]+ Calcd for C8H13NNa 146.0940

[M − H]−

[M − H]− Calcd for C8H12N 122.0975

Elemental analysis

Anal. Calcd for C8H13N: C, 77.99; H, 10.64; N, 11.37.