Basic information
- CAS
1731-23-3- Standard SMILES
NCC1CCC1CN- InChIKey
ZBLACDIKXKCJGF-FJGCHTOXNA-N- Molecular formula
- C6H14N2
- Average molar mass
- 114.19 g/mol
- Monoisotopic mass
- 114.11569846
Names & identifiers
- Preferred name
- (Cyclobutane-1,2-diyl)dimethanamine
- IUPAC
- [2-(aminomethyl)cyclobutyl]methanamine
- English name
- trans-1,2-Bis(aminomethyl)cyclobutane
- Molecular formula
- C6H14N2
- Molecular weight
- 114.19
Names & synonyms
RefChem:1050835DTXCID00817751DTXSID50869846(Cyclobutane-1,2-diyl)dimethanamine[2-(aminomethyl)cyclobutyl]methanaminecyclobutane-1,2-diyldimethanamine3396-16-5CYCLOBUTANE-1,2-BIS(METHYLAMINE)1,2-bis(aminomethyl)cyclobutane[(1S,2S)-2-(aminomethyl)cyclobutyl]methanamine2920218-90-0USAF ST-6
Show more names
trans-1,2-Bis(aminomethyl)cyclobutene[2-(aminomethyl)cyclobutyl]methylamine(trans)-cyclobutane-1,2-diyldimethanamine1,2-Cyclobutanedimethanamine, (1R,2R)-rel-[(1R,2R)-2-(Aminomethyl)cyclobutyl]methylaminerel-((1R,2R)-Cyclobutane-1,2-diyl)dimethanaminerel-[(1R,2R)-2-(Aminomethyl)cyclobutyl]methylamine
1,1-Bis(aminomethyl)cyclobutane[cis-2-(aminomethyl)cyclobutyl]methanamineNSC527267Methylamine, (1,2-cyclobutylene)bis-starbld00483441-[(1R,2R)-2-(AMINOMETHYL)CYCLOBUTYL]METHANAMINE1,2-CyclobutanedimethanamineSCHEMBL1649846
Database identifiers
- CAS
1731-23-3、3396-16-5、38932-71-7- PubChem CID
- 28971
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 62.9
Physicochemical properties
- Boiling point
- 80 · 80-82 °C(Press: 10 Torr)
- Density
- 0.947 · 0.947±0.06 g/cm3(Predicted)
- pka
- 10.57 · 10.57±0.29(Predicted)
- InChI
- InChI=1/C6H14N2/c7-3-5-1-2-6(5)4-8/h5-6H,1-4,7-8H2/t5-,6-/s3
- InChIKey
- ZBLACDIKXKCJGF-FJGCHTOXNA-N
- SMILES
- [C@@H]1(CN)CC[C@H]1CN |&1:0,5,r|
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers17 total
河南赢创生物科技有限公司16650615803 · [email protected]
淮安嘉目生物科技有限公司0517-83187139 18205232085 · [email protected]
南京凯天化工有限公司+86 (25) 5860-8846 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+8613382787392 · [email protected]
南京熙泽医药科技有限公司025-66023220 15250997978 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
南京唯创远医药科技有限公司173 1418 6806; 17314186806 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
南京凯美迪斯生物科技有限公司15722927296 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海迈法生物科技有限公司008621-64224915 13301627320 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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