2,5-Dimethoxybenzenemethanamine

HCID 18652CAS 3275-95-4
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(OC)c(CN)c1
InChIKey
UWMCHDDHXMFKMA-UHFFFAOYSA-N
Molecular formula
C9H13NO2
Average molar mass
167.2 g/mol
Monoisotopic mass
167.09462866

Overview

stimulates uterine contraction

Names & identifiers

Preferred name
2,5-Dimethoxybenzenemethanamine
IUPAC
(2,5-dimethoxyphenyl)methanamine
English name
2,5-Dimethoxybenzylamine
Molecular formula
C9H13NO2
Molecular weight
167.21

Names & synonyms

2,5-Dimethoxybenzylamine3275-95-42,5-DimethoxybenzenemethanamineDTXSID10186420RefChem:82915DTXCID20108911(2,5-dimethoxyphenyl)methanamine1-(2,5-dimethoxyphenyl)methanamineBenzenemethanamine, 2,5-dimethoxy-MFCD00052811Zilain2,5-Dimethoxy-benzylamine
Show more names
RARECHEM AL BW 03482,5-DimethoxybenzyL2,5-Dimethoxybenzyla2,5-dimethoxy-benzylamin2,5-Dimethoxybenzylamine>2,5-Dimethoxybenzylamine ,98%2,5-dimethoxy-benzenemethanamin
BRN 2362836BENZYLAMINE, 2,5-DIMETHOXY-2,5-dimethoxybenzyl amineOprea1_013152Oprea1_829210SCHEMBL42577SCHEMBL42578CBDivE_001902

Database identifiers

CAS
3275-95-4
PubChem CID
18652
DTXSID
DTXSID10186420
EC Number
628-304-4
Nikkaji
J1.243.880J

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
44.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
12

Physicochemical properties

Boiling point
95 °C/0.2 · 95 °C/0.2 mmHg (lit.)
Density
1.11 g/mL · 1.11 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.548(lit.)
Flash point
230 °F · >230 °F
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
pka
9.12 · 9.12±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
3
rtecs
DP4430000
ridadr
UN 2735 8/PG 3
hs_code
29222990
risk_code
34

Chemistry & industry

Applications

Uses2,5-Dimethoxybenzylamine reacts with ethyl bromoacetate to yield N-(2,5-dimethoxy)benzylglycine ethyl ester.

Uses2,5-Dimethoxybenzylamine is used in the preparation of pyrrolo[2,3-b]pyrazine-7-carboxamide derivatives as JAK and SYK inhibitors for the treatment of autoimmune and inflammatory diseases.

Upstream & downstream products

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]

Related reactions

21 records
New reaction record

Linked notes

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