Basic information
- CAS
18364-71-1- Standard SMILES
CN(C)Cc1ccc(C(=O)O)cc1- InChIKey
ABFSTRGQQNSRNH-UHFFFAOYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Names & identifiers
- Preferred name
- 4-[(Dimethylamino)methyl]benzoic acid
- IUPAC
- 4-[(dimethylamino)methyl]benzoic acid
- English name
- 4-[(DIMETHYLAMINO)METHYL]BENZOIC ACID
- Molecular formula
- C10H13NO2
- Molecular weight
- 179.22
Names & synonyms
18364-71-14-[(dimethylamino)methyl]benzoic acid4-((Dimethylamino)methyl)benzoic acidDTXSID40356573RefChem:286461DTXCID50307632837-111-64-Dimethylaminomethyl-benzoic acidBenzoic acid, 4-[(dimethylamino)methyl]-MFCD04107483Benzoic acid, 4-[(dimethylamino)methyl]-, hydrochloride4-(dimethylaminomethyl)benzoic acid
Show more names
4-[(dimethylamino)methyl]benzoic acid(SALTDATA: HCl)
SCHEMBL65825p-dimethylaminomethylbenzoic acid4-dimethylaminomethyl benzoic acidABFSTRGQQNSRNH-UHFFFAOYSA-NALBB-0151074-((Dimethylamino)methyl)benzoicacidSBB085369AKOS000100782
Database identifiers
- CAS
18364-71-1- PubChem CID
- 826319
- DTXSID
DTXSID40356573- EC Number
- 837-111-6
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 172
Physicochemical properties
- Boiling point
- 283.8 · 283.8±23.0 °C(Predicted)
- Density
- 1.13 · 1.130±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.77 · 3.77±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- HazardClass
- IRRITANT
Safety & regulation
GHS classification
GHS Classification
Danger
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (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 CategoriesEye Dam. 1 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_class
- IRRITANT
- Hazard statements
- H318
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Suppliers25 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
济南德迈医药科技有限公司18669728830 15806766175 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
上海希凯姆医药开发有限公司13889470786 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
上海臻励生物科技有限公司021-16621358918; 18516310516;16621358918;13045646768 · [email protected]
山东鸿图生物科技有限公司15966937598 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
上海雷祺生物科技有限公司18621609968 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
上海博拓生物科技有限公司16621358918 · [email protected]
Related reactions
6 records
Compound notes
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