Basic information
- CAS
19430-83-2- Standard SMILES
Nc1ccc(Cc2cccc(N)c2)cc1- InChIKey
FGWQCROGAHMWSU-UHFFFAOYSA-N- Molecular formula
- C13H14N2
- Average molar mass
- 198.26 g/mol
- Monoisotopic mass
- 198.11569846
Names & identifiers
- Preferred name
- Benzenamine, 3-((4-aminophenyl)methyl)-
- IUPAC
- 3-[(4-aminophenyl)methyl]aniline
- English name
- 3,4'-Diaminodiphenylmethane
- Molecular formula
- C13H14N2
- Molecular weight
- 198.26
Names & synonyms
19430-83-23,4'-DiaminodiphenylmethaneBenzenamine, 3-((4-aminophenyl)methyl)-Benzenamine, 3-[(4-aminophenyl)methyl]-DTXSID30173054RefChem:561706DTXCID5095545623-914-73-(4-Aminobenzyl)aniline3,4'-Methylenedianiline3-[(4-aminophenyl)methyl]aniline4-[(3-aminophenyl)methyl]aniline
Show more names
3,4'-Diaminodiphenylmethane>[3-(4-aminobenzyl)phenyl]amine3,4'-Diaminodiphenylmethane 95%3-[(4-azanylphenyl)methyl]aniline
MFCD000147783,4/'-DIAMINODIPHENYLMETHANE3,4''-MethylenedianilineSCHEMBL125532SCHEMBL287527723,4'-Diaminodiphenylmethane, 95%AKOS004910483AS-58227
Database identifiers
- CAS
19430-83-2- PubChem CID
- 146674
- DTXSID
DTXSID30173054- EC Number
- 623-914-7
- Nikkaji
- J208.398A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Melting point
- 77 · 77-81 °C
- Boiling point
- 393.8 · 393.8±22.0 °C(Predicted)
- Density
- 1.143 · 1.143±0.06 g/cm3(Predicted)
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 4.78 · 4.78±0.10(Predicted)
- color
- White to Light yellow to Light orange
- InChI
- 1S/C13H14N2/c14-12-6-4-10(5-7-12)8-11-2-1-3-13(15)9-11/h1-7,9H,8,14-15H2
- InChIKey
- FGWQCROGAHMWSU-UHFFFAOYSA-N
- SMILES
- Nc1ccc(Cc2cccc(N)c2)cc1
- CAS DataBase Reference
- 19430 · 19430-83-2(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 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 Irrit. 2 (100%)；STOT SE 3 (97.5%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 2
- hs_code
- 2921.59.8090
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36/37
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers62 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
Related reactions
1 records
Compound notes
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