Basic information
- CAS
19945-22-3- Standard SMILES
CC(=O)N(CCCl)CCCl- InChIKey
QCWXUDBGALHWKK-UHFFFAOYSA-N- Molecular formula
- C6H11Cl2NO
- Average molar mass
- 184.06 g/mol
- Monoisotopic mass
- 183.0217694
Names & identifiers
- Preferred name
- Acetamide, N,N-bis(2-chloroethyl)-
- IUPAC
- N,N-bis(2-chloroethyl)acetamide
- English name
- N,N-Bis(2-chloroethyl)acetamide
- Molecular formula
- C6H11Cl2NO
- Molecular weight
- 184.06
Names & synonyms
19945-22-3Acetamide, N,N-bis(2-chloroethyl)-DTXSID10173719RefChem:1075297DTXCID1096210N,N-Bis(2-chloroethyl)acetamideN,N-Bis(beta-chloroethyl)acetamideNSC166650SCHEMBL7960405N,N-Bis(2-chloroethyl) acetamideAKOS016004178NSC 166650
Show more names
NSC-166650DB-335202Acetamide,N-bis(2-chloroethyl)-N,N-bis(2-chloroethyl)acetamide
Database identifiers
- CAS
19945-22-3- PubChem CID
- 98802
- DTXSID
DTXSID10173719
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 102
Physicochemical properties
- Melting point
- 121 · 121-124 °C
- Boiling point
- 120 · 120-125 °C(Press: 1 Torr)
- Density
- 1.1538 · 1.1538 (rough estimate)
- refractive index
- 1.568 · 1.5680 (estimate)
- pka
- -0.86 · -0.86±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Toxicity
- 500 mg/m3/10M · LC ihl-mus: >500 mg/m3/10M NTIS** PB158-508
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
- Toxicity
- LC ihl-mus: >500 mg/m3/10M NTIS** PB158-508
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers10 total
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
湖北赛恩斯化工有限公司15994282563 15994282563 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
深圳利斯康医药科技有限公司+86-755-89396905 +86-15013857715 · [email protected]
扬州市普林斯医药科技有限公司15951058308 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
上海药领医药科技合伙企业（有限合伙）400-6181121 18616383988 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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