Basic information
- CAS
113439-86-4- Standard SMILES
CCOC(=O)C#CCN.Cl- InChIKey
GRINOEYWJUZEHI-UHFFFAOYSA-N- Molecular formula
- C6H10ClNO2
- Average molar mass
- 163.6 g/mol
- Monoisotopic mass
- 163.0400063
Names & identifiers
- Preferred name
- Ethyl 4-aminobut-2-ynoate hydrochloride
- IUPAC
- ethyl 4-aminobut-2-ynoate;hydrochloride
- English name
- 4- amino -2- butyn ethyl ester hydrochloride
- Molecular formula
- C6H10ClNO2
- Molecular weight
- 163.6
Names & synonyms
ethyl 4-aminobut-2-ynoate hydrochloride113439-86-4RefChem:595315991-188-1ethyl 4-aminobut-2-ynoate;hydrochlorideEN300-650549H843744- amino -2- butyn ethyl ester hydrochlorideethyl3-aminoprop-1-yn-1-carboxylatehydrochloride2-Butynoic acid, 4-amino-, ethyl ester, hydrochloride (1:1)
Database identifiers
- CAS
113439-86-4- PubChem CID
- 85545355
- EC Number
- 991-188-1
Properties
Computed structural properties
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 151
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers4 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
宁波苯康基石医药科技有限公司15990591583
上海琼燕医药科技有限公司086-021-15821262312 15821262312 · [email protected]
SHANGHAI YOUNG-CHEM CHEMICAL CO., LTD.13817489192 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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