Basic information
- CAS
1074-42-6- Standard SMILES
c1ccc(CN2CC2)cc1- InChIKey
CASDNPHWJOQUQX-UHFFFAOYSA-N- Molecular formula
- C9H11N
- Average molar mass
- 133.19 g/mol
- Monoisotopic mass
- 133.08914936
Names & identifiers
- Preferred name
- 1-Benzylaziridine
- IUPAC
- 1-benzylaziridine
- English name
- 1-benzylaziridine
- Molecular formula
- C9H11N
- Molecular weight
- 133.19
Names & synonyms
1-BenzylaziridineN-BenzylethylenimineAziridine, 1-benzyl-4LG9J0U7NL1-(PHENYLMETHYL)AZIRIDINENSC 18610NSC-18610UNII-4LG9J0U7NLDTXSID00148037RefChem:75006Aziridine, 1-benzyl-(8CI)DTXCID0070528
Show more names
1-(Phenylacetyl)aziridine
CASDNPHWJOQUQX-UHFFFAOYSA-N1074-42-6N-Benzylaziridine1-BenzylethylenimineN-Benzyl AziridineAziridine, 1-(phenylmethyl)-Aziridine,1-(phenylmethyl)-Aziridine, 1-benzyl- (8CI)
Database identifiers
- CAS
1074-42-6- PubChem CID
- 70628
- DTXSID
DTXSID00148037- UNII
- 4LG9J0U7NL
- Nikkaji
- J100.489A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- Boiling point
- 84 · 84-87 °C(Press: 8 Torr)
- Density
- 1.086 · 1.086±0.06 g/cm3(Predicted)
- pka
- 6.85 · 6.85±0.20(Predicted)
- FDA UNII
- 4 LG9J0U7NL · 4LG9J0U7NL
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers18 total
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
湖北赛恩斯化工有限公司15994282563 15994282563 · [email protected]
BOC Sciences16314854226 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
合肥诚权生物科技有限公司0551-0551130 13034045150 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
广州市桐晖药业有限公司020-66392521-118 18922260391 · [email protected]
南京美韬医药科技有限公司[email protected] · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 18012923235 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
深圳瑞恺德生物科技有限公司0755-61348847 17820674378 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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