N,N'-Hexamethylenebis(2-chloroethyl carbamate)
Basic information
- CAS
3142-96-9- Standard SMILES
O=C(NCCCCCCNC(=O)OCCCl)OCCCl- InChIKey
YKGQXJWJKUBGNN-UHFFFAOYSA-N- Molecular formula
- C12H22Cl2N2O4
- Average molar mass
- 329.22 g/mol
- Monoisotopic mass
- 328.0956626
Names & identifiers
- Preferred name
- N,N'-Hexamethylenebis(2-chloroethyl carbamate)
- IUPAC
- 2-chloroethyl N-[6-(2-chloroethoxycarbonylamino)hexyl]carbamate
Names & synonyms
N,N'-HEXAMETHYLENEBIS(2-CHLOROETHYL CARBAMATE)RefChem:8219573142-96-9666-174-0SCHEMBL11736597AKOS024335990bis(2-chloroethyl) hexane-1,6-diylbiscarbamate
Database identifiers
- CAS
3142-96-9- PubChem CID
- 5227097
- EC Number
- 666-174-0
- Nikkaji
- J1.407.549F
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 242
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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Related reactions
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Compound notes
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