Basic information
- CAS
17756-81-9- Standard SMILES
N#CCCNC(=O)CCl- InChIKey
WECIKJKLCDCIMY-UHFFFAOYSA-N- Molecular formula
- C5H7ClN2O
- Average molar mass
- 146.57 g/mol
- Monoisotopic mass
- 146.0246905
Names & identifiers
- Preferred name
- 2-Chloro-N-(2-cyanoethyl)acetamide
- IUPAC
- 2-chloro-N-(2-cyanoethyl)acetamide
- English name
- 2-chloro-n-(2-cyanoethyl)-acetamid
- Molecular formula
- C5H7ClN2O
- Molecular weight
- 146.57
Names & synonyms
2-Chloro-N-(2-cyanoethyl)acetamideUdankorAcetamide, 2-chloro-N-(2-cyanoethyl)-BRN 22386200XF1T004AKUNII-0XF1T004AKDTXSID10170344RefChem:197726DTXCID4092835WECIKJKLCDCIMY-UHFFFAOYSA-N17756-81-9Udonkor
Show more names
nf21UndokorN-(2-CYANOETHYL)CHLOROACETAMIDE
CECA2-chloro-n-(2-cyanoethyl)-acetamidNF 21MFCD01733630N-(.beta.-Cyanoethyl)chloroacetamideN-(beta-Cyanoethyl)chloroacetamideN-(beta-Cyanoethyl)monochloroacetamideN-Cyanathyl-chloracetamid
Database identifiers
- CAS
17756-81-9- PubChem CID
- 87296
- DTXSID
DTXSID10170344- UNII
- 0XF1T004AK
- Nikkaji
- J22.066C
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 137
Physicochemical properties
- Boiling point
- 388.9 · 388.9±27.0 °C(Predicted)
- Density
- 1.375 · 1.3750 (rough estimate)
- refractive index
- 1.451 · 1.4510 (estimate)
- pka
- 13.1 · 13.10±0.46(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 0 XF1T004AK · 0XF1T004AK
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: Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Hazard information
Hazard Classes and CategoriesAcute toxicity (Oral) - Category 4
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers6 total
Ryan Scientific, Inc.[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
ENAMINE-CHI[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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