N-Cyclohexyl-1,3-propanediamine

C₉H₂₀N₂CAS 3312-60-5156.27 g/mol

Open in Covalent MOL file

Primary amine Secondary amine

Properties

Molecular formula: C₉H₂₀N₂
Molar mass: 156.27 g/mol
Exact mass: 156.1626 Da
Boiling point: 85–89 °C (at 2 Torr)
logP: 1.26Crippen estimate
Polar surface area: 38.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

Hazards

Danger

H301+H311 Toxic if swallowed or in contact with skin52.8% of notifiers
H301 Toxic if swallowed54.3% of notifiers
H302 Harmful if swallowed12.7% of notifiers
H311 Toxic in contact with skin54.3% of notifiers
H314 Causes severe skin burns and eye damage97.5% of notifiers
H317 May cause an allergic skin reaction64% of notifiers
H318 Causes serious eye damage85.3% of notifiers
H412 Harmful to aquatic life with long lasting effects63.5% of notifiers

Aggregated from 197 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P272, P273, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P361+P364, P362+P364, P363, P405, P501

Identifiers

CAS number

3312-60-5

SMILES

NCCCNC1CCCCC1

InChIKey

ITZPOSYADVYECJ-UHFFFAOYSA-N

InChI

InChI=1S/C9H20N2/c10-7-4-8-11-9-5-2-1-3-6-9/h9,11H,1-8,10H2

Weigh it out

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

Names and synonyms

19 names · show all

1,3-Propanediamine, N1-cyclohexyl-
1,3-Propanediamine, N-cyclohexyl-
N1-Cyclohexyl-1,3-propanediamine
N-Cyclohexyl-1,3-propylenediamine
1-(Cyclohexylamino)-3-aminopropane
N-(3-Aminopropyl)cyclohexylamine
3-(Cyclohexylamino)-1-propylamine
N-Cyclohexyl-1,3-diaminopropane
3-Amino-1-(cyclohexylamino)propane
N-Cyclohexyltrimethylenediamine
Polycat 352
(Cyclohexylamino)propylamine
N-(3-Aminopropyl)cyclohexanamine
Laromin C 252
N-(3-Aminopropyl)-N-cyclohexylamine
3-(Cyclohexylamino)propylamine
NSC 87572
Baxxodur EC 252
EC 252

Work with N-Cyclohexyl-1,3-propanediamine

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Piperidinemethanamine22990-77-856 % similar 2-(Cyclohexylamino)ethanol2842-38-856 % similar 2-Pyrrolidinemethanamine57734-57-352 % similar (S)-2-(Piperidin-2-yl)ethanol103639-57-248 % similar 2-Piperidineethanol1484-84-048 % similar Coniine3238-60-648 % similar Piperidine, 2-(2-propenyl)-, (S)- (9ci)133294-33-445 % similar 3-(Cyclohexylamino)propanenitrile702-03-445 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(3-Aminopropyl)-2-pipecoline25560-00-3 3-(Azepan-1-yl)propan-1-amine3437-33-0 4-Amino-2,2,6,6-tetramethylpiperidine36768-62-4

Elsewhere

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