N-Benzyl-1,3-propanediamine

C₁₀H₁₆N₂CAS 13910-48-0164.25 g/mol

Open in Covalent MOL file

Primary amine Secondary amine

Properties

Molecular formula: C₁₀H₁₆N₂
Molar mass: 164.25 g/mol
Exact mass: 164.1313 Da
Boiling point: 98–102 °C (at 1 Torr)
logP: 1.13Crippen estimate
Polar surface area: 38.0 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 5

Hazards

Danger

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

Aggregated from the 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

13910-48-0

SMILES

NCCCNCc1ccccc1

InChIKey

RFLHDXQRFPJPRR-UHFFFAOYSA-N

InChI

InChI=1S/C10H16N2/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,7-9,11H2

Weigh it out

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

Names and synonyms

16 names · show all

1,3-Propanediamine, N1-(phenylmethyl)-
1,3-Propanediamine, N-benzyl-
1,3-Propanediamine, N-(phenylmethyl)-
Benzylamine, N-(3-aminopropyl)-
N1-(Phenylmethyl)-1,3-propanediamine
1-Benzylamino-3-aminopropane
N-Benzylpropylenediamine
N-(Phenylmethyl)-1,3-propanediamine
N-Benzyl-1,3-diaminopropane
N-Benzyl-1,3-propylenediamine
3-(Benzylamino)propylamine
N-Benzyltrimethylenediamine
3-(Benzylamino)propanamine
N-(3-Aminopropyl)benzylamine
(3-Aminopropyl)(benzyl)amine
N-Benzylpropane-1,3-diamine

Work with N-Benzyl-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

N-Benzylethylenediamine4152-09-477 % similar Benzathine140-28-364 % similar N-Butylbenzylamine2403-22-760 % similar 3-(Benzylamino)propanol4720-29-060 % similar Benzylphenethylamine3647-71-059 % similar Benzenepropanamine2038-57-558 % similar Dibenzylamine103-49-156 % similar Benzenebutanamine13214-66-956 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Wurster's blue100-22-1 Sebaconitrile1871-96-1 2,3,5,6-Tetramethyl-1,4-phenylenediamine3102-87-2 N-(3-Aminopropyl)-N-methylaniline53485-07-7 (2-Amino-1-phenylethyl)dimethylamine6342-21-8 4-(tert-Butyl)-1,2-diaminobenzene68176-57-8 Color developing agent 193-05-0

Elsewhere

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