2-Aminomethylbenzoic acid
Grundinformationen
- CAS
25672-97-3- Standard-SMILES
NCc1ccccc1C(=O)O- InChIKey
CLTMYNWFSDZKKI-UHFFFAOYSA-N- Summenformel
- C8H9NO2
- Durchschnittliche Molmasse
- 151,16 g/mol
- Monoisotopische Masse
- 151,06332853
Namen und Bezeichner
- Bevorzugter Name
- 2-Aminomethylbenzoic acid
- IUPAC
- 2-(aminomethyl)benzoic acid
- Englischer Name
- Benzoic acid, 2-(aminomethyl)- (9CI)
- Summenformel
- C8H9NO2
- Molmasse
- 151.16
Namen und Synonyme
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
Weitere Namen anzeigen
benzoic acid, 2-(aminomethyl)-Aminomethylbenzoic Acid Impurity 202-(aminomethyl)benzoic acid(SALTDATA: HCl)
NSC127011Benzoic acid, 2-(aminomethyl)- (9CI)Tranexamic Acid Impurity 62SCHEMBL136079SCHEMBL1805455CHEMBL1188167SCHEMBL15666463SCHEMBL27547427
Datenbank-Bezeichner
- CAS
25672-97-3- PubChem CID
- 277942
- DTXSID
DTXSID00948554- ChEMBL
CHEMBL1188167、CHEMBL535415- EC Number
- 685-757-0
- Nikkaji
- J36.206I
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,3
- Polarare Oberfläche (TPSA)
- 63,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 147
Physikochemische Eigenschaften
- Schmelzpunkt
- 211 °C · 211 °C
- Siedepunkt
- 310.7 · 310.7±17.0 °C(Predicted)
- Dichte
- 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)
Sicherheit und Regulatorisches
GHS-Klassifizierung
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.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)；Aquatic Acute 1 (100%)
Sicherheitsdaten
- hs_code
- 2922498590
- hazard_class
- IRRITANT
Chemie und Industrie
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