Basic information
- CAS
17012-22-5- Standard SMILES
COC(=O)c1ccc(NC(C)=O)cc1- InChIKey
QKWTXJSLAZKYGV-UHFFFAOYSA-N- Molecular formula
- C10H11NO3
- Average molar mass
- 193.2 g/mol
- Monoisotopic mass
- 193.07389321
Names & identifiers
- Preferred name
- Methyl 4-(acetylamino)benzoate
- IUPAC
- methyl 4-acetamidobenzoate
- English name
- 4-Acetylamino-benzoic acid methyl ester
- Molecular formula
- C10H11NO3
- Molecular weight
- 193.2
Names & synonyms
17012-22-5Methyl 4-(acetylamino)benzoateDTXSID10342009RefChem:1089444DTXCID30293089methyl 4-acetamidobenzoate4-ACETYLAMINO-BENZOIC ACID METHYL ESTERBenzoic acid, 4-(acetylamino)-, methyl esterMFCD00463106methyl 4-acetylaminobenzoateMethyl4-acetamidobenzoateTimTec1_002203
Show more names
Methyl 4-[(2,2,2-d3)acetamido]benzoate
SCHEMBL863168CHEMBL45676434-Acetylamino-benzoic acid methylMethyl 4-(acetylamino)benzoate #QKWTXJSLAZKYGV-UHFFFAOYSA-NHMS1540E03ALBB-033470SAA01222
Database identifiers
- CAS
17012-22-5- PubChem CID
- 577758
- DTXSID
DTXSID10342009- ChEMBL
CHEMBL4567643- Nikkaji
- J46.693J
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 219
Experimental & physicochemical properties
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP1.64
Physicochemical properties
- Melting point
- 127 ℃ · 127℃
- Boiling point
- 382.1 · 382.1±25.0 °C(Predicted)
- Density
- 1.204 · 1.204
- storage temp.
- 2 · 2-8°C
- pka
- 14.55 · 14.55±0.70(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers23 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉罗化科技有限公司13477084141; 13477084141 · [email protected]
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
无锡中坤生化科技有限公司+86 0510-85629785
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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