4-Toluamidine

HCID 122754CAS 18465-11-7
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccc(C(=N)N)cc1
InChIKey
UBYXITFNZVIVDW-UHFFFAOYSA-N
Molecular formula
C8H10N2
Average molar mass
134.18 g/mol
Monoisotopic mass
134.08439832

Overview

trypsin inhibitor; RN given refers to parent cpd

Names & identifiers

Preferred name
4-Toluamidine
IUPAC
4-methylbenzenecarboximidamide
English name
4-Methyl-benzamidine
Molecular formula
C8H10N2
Molecular weight
134.18

Names & synonyms

18465-11-74-Methylbenzenecarboximidamidep-Toluamidine4-ToluamidineDTXSID00171603RefChem:912819DTXCID30940944-Methylbenzimidamide4-Methyl-benzamidine4-methylbenzene-1-carboximidamide4-methylbenzamidineBenzenecarboximidamide, 4-methyl-
Show more names
p-Toluamidine, 4-Toluamidine, 4-Methylbenzenecarboximidamide, Benzenecarboximidamide, 4-methyl-, BBV-074213, 18465-11-7, 6326-27-8MFCD06761742KM8AA4B4L2SCHEMBL524027SCHEMBL14683174-Methylbenzenecarboximidamide #CHEMBL1650243AKOS000179512

Database identifiers

CAS
18465-11-7
PubChem CID
122754
DTXSID
DTXSID00171603
ChEMBL
CHEMBL1650243
UNII
KM8AA4B4L2
Nikkaji
J595.404E

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
49.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
10

Physicochemical properties

Boiling point
225 · 225.0±33.0 °C(Predicted)
Density
1.07 · 1.07±0.1 g/cm3(Predicted)
pka
12.27 · 12.27±0.50(Predicted)
FDA UNII
8 AA4B4L2 · KM8AA4B4L2
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers8 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
江苏奥维新材料科技有限公司13335217656; 13335217656

Related reactions

8 records
New reaction record

Linked notes

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