3-(2,5-Dimethoxyphenyl)propan-1-amine

HCID 21497980
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Basic information

CAS
56966-37-1
Standard SMILES
COc1ccc(OC)c(CCCN)c1
InChIKey
RTBLTCFCRGIGFB-UHFFFAOYSA-N
Molecular formula
C11H17NO2
Average molar mass
195.26 g/mol

Names & identifiers

Preferred name
3-(2,5-Dimethoxyphenyl)propan-1-amine
IUPAC
3-(2,5-dimethoxyphenyl)propan-1-amine
English name
3-(2,5-Dimethoxy-phenyl)-propylamine
Molecular formula
C11H17NO2
Molecular weight
195.26

Names & synonyms

3-(2,5-dimethoxyphenyl)propan-1-amine56966-37-1RefChem:490126992-520-83-(2,5-DIMETHOXY-PHENYL)-PROPYLAMINESCHEMBL5663448RTBLTCFCRGIGFB-UHFFFAOYSA-NGCA96637AKOS010969726AB03308gamma-Aminopropyl-2,5-dimethoxybenzeneEN300-119476
Show more names
Benzenepropanamine, 2,5-dimethoxy-
G49609

Database identifiers

CAS
56966-37-1
PubChem CID
21497980
EC Number
992-520-8

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
44.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
14

Physicochemical properties

Boiling point
304.3 · 304.3±32.0 °C(Predicted)
Density
1.025 · 1.025±0.06 g/cm3(Predicted)
pka
10.2 · 10.20±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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%)

Chemistry & industry

Suppliers8 total

苏州合森医药科技有限公司17621975170; 17621975170 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
菏泽星达医药科技有限公司13583079096 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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