Ethyl 3-amino-4-(methylamino)benzoate

HCID 2824047CAS 66315-23-9
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)c1ccc(NC)c(N)c1
InChIKey
ZPJHHBPBCFRECW-UHFFFAOYSA-N
Molecular formula
C10H14N2O2
Average molar mass
194.23 g/mol
Monoisotopic mass
194.10552769

Overview

Ethyl 3-amino-4-(methylamino)benzoate is a benzoate ester.

Names & identifiers

Preferred name
Ethyl 3-amino-4-(methylamino)benzoate
IUPAC
ethyl 3-amino-4-(methylamino)benzoate
English name
Ethyl 3-amino-4-(methylamino)benzoate
Molecular formula
C10H14N2O2
Molecular weight
194.23

Names & synonyms

ethyl 3-amino-4-(methylamino)benzoate66315-23-9DTXSID00384958RefChem:343305DTXCID60335981840-167-4MFCD04110945SCHEMBL408918Benzoic acid, 3-amino-4-(methylamino)-, ethyl esterCHEBI:183681ZPJHHBPBCFRECW-UHFFFAOYSA-NHMS1666O17
Show more names
Ethyl 3-amino-4-(methylamino)Thyl3-amino-4-(methylamino)benzoate3-Amino-4-(methylamino)benzoic acid ethyl ester
Ethyl 3-amino-4-methylaminobenzoateCCG-49437SBB064252AKOS010565961AC-9047AS-31421SY033436DB-032301

Database identifiers

CAS
66315-23-9
PubChem CID
2824047
DTXSID
DTXSID00384958
ChEBI
CHEBI:183681
EC Number
840-167-4

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
64.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
14

Physicochemical properties

Melting point
87 °C · 87 °C
Boiling point
357.4 · 357.4±32.0 °C(Predicted)
Density
1.173 · 1.173±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka
5.45 · 5.45±0.11(Predicted)
Appearance
Brown to black Solid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code
2922498590
Signal word
Warning
Symbol(GHS)
GHS07
hazard_class
IRRITANT
Hazard statements
H302-H315-H319-H335
Precautionary statements
P260-P280-P312

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers50 total

上海康恩博医药科技有限公司17510465506 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
Sichuan Biosynce Pharmatech Co., Ltd.[email protected]

Additional notes

DefinitionChEBI: Ethyl 3-amino-4-(methylamino)benzoate is a benzoate ester.

Related reactions

4 records
New reaction record

Linked notes

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