1,3-BAC
Properties
- Molecular formula
- C8H18N2
- Molar mass
- 142.25 g/mol
- Exact mass
- 142.1470 Da
- Melting point
- below −70 °C
- Boiling point
- 220 °C
- logP
- 0.71Crippen estimate
- Polar surface area
- 52.0 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H302+H312 Harmful if swallowed or in contact with skin12.8% of notifiers
- H302 Harmful if swallowed98.3% of notifiers
- H312 Harmful in contact with skin78.9% of notifiers
- H314 Causes severe skin burns and eye damage93% of notifiers
- H317 May cause an allergic skin reaction14% of notifiers
- H318 Causes serious eye damage47.5% of notifiers
- H332 Harmful if inhaled13.3% of notifiers
- H412 Harmful to aquatic life with long lasting effects65.6% of notifiers
Aggregated from 413 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P405, P501
Identifiers
CAS number
2579-20-6SMILES
NCC1CCCC(CN)C1InChIKey
QLBRROYTTDFLDX-UHFFFAOYSA-NInChI
InChI=1S/C8H18N2/c9-5-7-2-1-3-8(4-7)6-10/h7-8H,1-6,9-10H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
13 names · show all
- 1,3-Cyclohexanedimethanamine
- 1,3-Cyclohexanebis(methylamine)
- 1,3-Di(aminomethyl)cyclohexane
- 1,3-Bis(aminomethyl)cyclohexane
- m-Bis(aminomethyl)cyclohexane
- [[3-(Aminomethyl)cyclohexyl]methyl]amine
- 1,3-Bis(methylamine)cyclohexane
- B 2413
- Baxxodur EC 2120
- Hydrogenated m-xylylenediamine
- [3-(Aminomethyl)cyclohexyl]methanamine
- 1,3-Cyclohexanedimethylamine
- Daitocurar B 2413
Work with 1,3-BAC
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
Cyclobutanemethanamine4415-83-275 % similar
Cyclobutylmethylamine hydrochloride5454-82-063 % similar
Cyclohexanemethanamine3218-02-861 % similar
Aminomethylcyclopentane hydrochloride58714-85-555 % similar
Cyclopropanemethanamine2516-47-453 % similar
3-(Aminomethyl)piperidine23099-21-046 % similar
2-n-Octyl-1-dodecylamine62281-06-546 % similar
2-Ethylhexylamine104-75-644 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
Same formula
1-(1-Methylethyl)-4-piperidinamine127285-08-9
2-(1-Methylpiperidin-4-yl)ethanamine20845-38-9
4-(Pyrrolidin-1-yl)butan-1-amine24715-90-0
1,4-Cyclohexanedimethanamine2549-93-1
1-(Butan-2-yl)piperazine34581-21-0
Piperidine-1-propylamine3529-08-6
1-tert-Butylpiperazine38216-72-7
1-Propylpiperidin-4-amine42389-59-3