4-Heptanamine

C₇H₁₇NCAS 16751-59-0115.22 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₇H₁₇N
Molar mass: 115.22 g/mol
Exact mass: 115.1361 Da
Density: 0.771 g/mL (at 13 °C)
Boiling point: 139.5 °C
logP: 1.91Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 4

Hazards

Danger

H225 Highly Flammable liquid and vapor11.1% of notifiers
H226 Flammable liquid and vapor55.6% of notifiers
H302 Harmful if swallowed11.1% of notifiers
H314 Causes severe skin burns and eye damage66.7% of notifiers
H318 Causes serious eye damage11.1% of notifiers

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

16751-59-0

SMILES

CCCC(N)CCC

InChIKey

CLJMMQGDJNYDER-UHFFFAOYSA-N

InChI

InChI=1S/C7H17N/c1-3-5-7(8)6-4-2/h7H,3-6,8H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

6 names

Butylamine, 1-propyl-
1-Propylbutylamine
4-Heptylamine
4-Aminoheptane
1-Propylbutanamine
(Heptan-4-yl)amine

Work with 4-Heptanamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Propylpiperidin-4-amine42389-59-355 % similar trans-1,4-Diaminocyclohexane2615-25-053 % similar 1,4-Diaminocyclohexane3114-70-353 % similar Cyclopropylamine765-30-053 % similar 2-Pentanamine63493-28-750 % similar Cyclopentylamine1003-03-847 % similar Cyclobutylamine2516-34-947 % similar trans-4-Methylcyclohexylamine2523-55-945 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1,3-Dimethylamylamine105-41-9 Heptylamine111-68-2 2-Aminoheptane123-82-0 1,4-Dimethylpentylamine28292-43-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook