Basic information
- CAS
21678-63-7- Standard SMILES
CC(=O)Nc1cccc(NCCC#N)c1- InChIKey
SXAFYCXJRMPQKO-UHFFFAOYSA-N- Molecular formula
- C11H13N3O
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.10586205
Names & identifiers
- Preferred name
- Acetamide, N-[3-[(2-cyanoethyl)amino]phenyl]-
- IUPAC
- N-[3-(2-cyanoethylamino)phenyl]acetamide
- English name
- 3-(N-Cyanoethyl)aminoacetanilide
- Molecular formula
- C11H13N3O
- Molecular weight
- 203.24
Names & synonyms
Acetamide, N-(3-((2-cyanoethyl)amino)phenyl)-Acetamide, N-[3-[(2-cyanoethyl)amino]phenyl]-DTXSID7066724RefChem:551830DTXCID703653321678-63-73-(N-cyanoethyl)aminoacetanilideN-[3-(2-cyanoethylamino)phenyl]acetamiden-{3-[(2-cyanoethyl)amino]phenyl}acetamide3-N-Cyanoethylamino-AcetanilideSCHEMBL11675911SCHEMBL31435989
Show more names
3-(N-CYANO)AMINO ACETANILINE3-(2-CYANOETHYL)AMINO ACETANILIDE3-(N-cyanonethyl)amino acetanilideN-Acetyl-N'-(β-cyanoethyl)-m-phenylenediamine
AKOS009048078
Database identifiers
- CAS
21678-63-7- PubChem CID
- 89010
- DTXSID
DTXSID7066724- Nikkaji
- J37.700G
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Boiling point
- 504.3 · 504.3±35.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 14.83 · 14.83±0.70(Predicted)
- EPA Substance Registry System
- 3 · Acetamide, N-[3-[(2-cyanoethyl)amino]phenyl]- (21678-63-7)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetamide, N-[3-[(2-cyanoethyl)amino]phenyl]-: INACTIVE
Suppliers11 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
湖北拓邦化工有限公司027-59106185 13986192185 · [email protected]
Mainchem Co., Ltd.+86-86-05926210733 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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