Basic information
- CAS
2271-93-4- Standard SMILES
O=C(NCCCCCCNC(=O)N1CC1)N1CC1- InChIKey
YVOQADGLLJCMOE-UHFFFAOYSA-N- Molecular formula
- C12H22N4O2
- Average molar mass
- 254.33 g/mol
- Monoisotopic mass
- 254.17427596
Names & identifiers
- Preferred name
- N,N'-Hexamethylene-1,6-bis(1-aziridinecarboxamide)
- IUPAC
- N-[6-(aziridine-1-carbonylamino)hexyl]aziridine-1-carboxamide
- English name
- N,N'-Hexamethylene-1,6-bis(1-aziridinecarboxamide)
- Molecular formula
- C12H22N4O2
- Molecular weight
- 254.33
Names & synonyms
2271-93-4N,N'-Hexamethylene-1,6-bis(1-aziridinecarboxamide)1-Aziridinecarboxamide, N,N'-1,6-hexanediylbis-Hexamethylenebis(ethyleneurea)1,6-Hexamethylenebis(ethyleneurea)N,N'-Hexamethylenebis(1-aziridinecarboxamide)4KA5B2WTW11-Aziridinecarboxamide, N,N'-hexamethylenebis-DTXSID7062297RefChem:409115DTXCID2036740N,N'-(Hexane-1,6-diyl)bis(aziridine-1-carboxamide)
Show more names
hduDK682om53139ent50172olin53139ai3-50172Cyclohexanone, 4-cyclopentyl-
HexamethylenediethyleneureaOlin 53139N-[6-(aziridine-1-carbonylamino)hexyl]aziridine-1-carboxamide1,1'-(Hexamethylenedicarbamoyl)diaziridineN,N'-1,6-Hexanediylbis-1-aziridinecarboxamideOM 53139MFCD0050987763834-51-5
Database identifiers
- CAS
2271-93-4、63834-51-5- PubChem CID
- 16758
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Melting point
- 106 ℃ · 106℃ (acetone )
- Boiling point
- 397.54 °C · 397.54°C (rough estimate)
- Density
- 1.233 · 1.233±0.06 g/cm3 (20 ºC 760 Torr)
- refractive index
- 1.612 · 1.6120 (estimate)
- storage temp.
- 2 · 2-8°C
- pka
- 13.98 · 13.98±0.20(Predicted)
- FDA UNII
- 4 KA5B2WTW1 · 4KA5B2WTW1
- EPA Substance Registry System
- 1 · 1-Aziridinecarboxamide, N,N'-1,6-hexanediylbis- (2271-93-4)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+P310
- TSCA
- TSCA listed
- Toxicity
- 50 oral · LD50 oral in quail: 316mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 1-Aziridinecarboxamide, N,N'-1,6-hexanediylbis-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- tsca
- TSCA listed
- Toxicity
- LD50 oral in quail: 316mg/kg
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P301+P310
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Aziridinecarboxamide, N,N'-1,6-hexanediylbis-: INACTIVE
Applications
UsesN,N''-1,6-Hexanediylbis-1-aziridinecarboxamide was examined for its effects on deoxyribonucleic acid formation.
UsesN,N'-1,6-Hexanediylbis-1-aziridinecarboxamide was examined for its effects on deoxyribonucleic acid formation.
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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