Basic information
- CAS
25672-97-3- Standard SMILES
NCc1ccccc1C(=O)O- InChIKey
CLTMYNWFSDZKKI-UHFFFAOYSA-N- Molecular formula
- C8H9NO2
- Average molar mass
- 151.16 g/mol
- Monoisotopic mass
- 151.06332853
Names & identifiers
- Preferred name
- 2-Aminomethylbenzoic acid
- IUPAC
- 2-(aminomethyl)benzoic acid
- English name
- Benzoic acid, 2-(aminomethyl)- (9CI)
- Molecular formula
- C8H9NO2
- Molecular weight
- 151.16
Names & synonyms
2-Aminomethylbenzoic acido-aminomethylbenzoic acidRefChem:4595922-(aminomethyl)benzoic acid25672-97-32-Aminomethyl-benzoic acidMFCD06212682122342-54-5benzoic acid, 2-(aminomethyl)-, hydrochlorideCHEMBL535415Benzoic acid, (aminomethyl)-o-(Aminomethyl)benzoic acid
Show more names
benzoic acid, 2-(aminomethyl)-Aminomethylbenzoic Acid Impurity 202-(aminomethyl)benzoic acid(SALTDATA: HCl)
NSC127011Benzoic acid, 2-(aminomethyl)- (9CI)Tranexamic Acid Impurity 62SCHEMBL136079SCHEMBL1805455CHEMBL1188167SCHEMBL15666463SCHEMBL27547427
Database identifiers
- CAS
25672-97-3- PubChem CID
- 277942
- DTXSID
DTXSID00948554- ChEMBL
CHEMBL1188167、CHEMBL535415- EC Number
- 685-757-0
- Nikkaji
- J36.206I
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Melting point
- 211 °C · 211 °C
- Boiling point
- 310.7 · 310.7±17.0 °C(Predicted)
- Density
- 1.239 · 1.239±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 3.36 · 3.36±0.36(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H332-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- HazardClass
- IRRITANT
- HS Code
- 2922498590 · 2922498590
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]；H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)；Aquatic Acute 1 (100%)
Safety data
- hs_code
- 2922498590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H332-H335
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Suppliers46 total
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
HONG KONG IPURE BIOLOGY CO.,LIMITED86 18062405514 18062405514 · [email protected]
吉尔生化（玉门）有限公司18221406464 18221406464;13236395639 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
无锡亚肽生物科技有限公司
Related reactions
4 records
Compound notes
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