Basic information
- CAS
3088-42-4- Standard SMILES
N#CCCNCC(=O)O- InChIKey
KZUBZCHAWPDYQX-UHFFFAOYSA-N- Molecular formula
- C5H8N2O2
- Average molar mass
- 128.13 g/mol
- Monoisotopic mass
- 128.0585775
Names & identifiers
- Preferred name
- N-(2-cyanoethyl)glycine
- IUPAC
- 2-(2-cyanoethylamino)acetic acid
- English name
- N-(2-Cyanoethyl)glycine
- Molecular formula
- C5H8N2O2
- Molecular weight
- 128.13
Names & synonyms
N-(2-Cyanoethyl)glycine3088-42-4Glycine, N-(2-cyanoethyl)-AI3-16612EINECS 221-418-1NSC 11804NSC 133475Glycine, N-[2-cyanoethyl]-.alpha.-(.beta.'-Cyanoethyl)-aminoacetic acidDTXSID70184886RefChem:161722DTXCID10107377
Show more names
2-((2-Cyanoethyl)TIMTEC-BB SBB005852N-(-Cyanoethyl)glycineN-(2-Cyanoehtyl)glycineN-(B-CYANOETHYL)GLYCINEN-(2-Cyanoethyl)glycine,98%N-(2-Cyanoethyl)glycine >
alpha-(beta'-Cyanoethyl)-aminoacetic acid221-418-1KZUBZCHAWPDYQX-UHFFFAOYSA-N2-(2-cyanoethylamino)acetic acid2-[(2-cyanoethyl)amino]acetic acid2-((2-Cyanoethyl)amino)acetic acidMFCD000669032-(2-cyanoethylazaniumyl)acetate
Database identifiers
- CAS
3088-42-4- PubChem CID
- 76526
- DTXSID
DTXSID70184886- EC Number
- 221-418-1
- Nikkaji
- J49.229I
Properties
Computed structural properties
- XLogP
- -3.2
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 135
Physicochemical properties
- Melting point
- 188 · 188-193 °C
- Boiling point
- 237.54 °C · 237.54°C (rough estimate)
- Density
- 1.2864 · 1.2864 (rough estimate)
- refractive index
- 1.4472 · 1.4472 (estimate)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Ethanol, Water
- form
- Powder or Flakes
- color
- White
- Water Solubility
- almost transparency
- BRN
- 1756230 · 1756230
- CAS DataBase Reference
- 3088 · 3088-42-4(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07,GHS06
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H302-H312-H331
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501-P280h-P304+P340-P311a-P405-P501a
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
H302 (71.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (71.4%)
Safety data
- ridadr
- 3276
- hs_code
- 29269095
- risk_code
- 20/21
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS06
- hazard_code
- Xn
- safety_code
- 23
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302+H312+H332-H315-H319-H302-H312-H331
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501-P280h-P304+P340-P311a-P405-P501a
Chemistry & industry
Applications
UsesN-(2-Cyanoethyl)glycine (cas# 3088-42-4) is a compound useful in organic synthesis.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers60 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
4 records
Compound notes
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