3,4-Dimethylphenethylamine

HCID 410083CAS 17283-14-6
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1ccc(CCN)cc1C
InChIKey
IQXUVSNUSQIQCJ-UHFFFAOYSA-N
Molecular formula
C10H15N
Average molar mass
149.23 g/mol
Monoisotopic mass
149.12044948

Names & identifiers

Preferred name
3,4-Dimethylphenethylamine
IUPAC
2-(3,4-dimethylphenyl)ethanamine
English name
3,4-Dimethylphenethylamine
Molecular formula
C10H15N
Molecular weight
149.23

Names & synonyms

3,4-Dimethylphenethylamine17283-14-6DTXSID90328422RefChem:271212DTXCID102795282-(3,4-dimethylphenyl)ethanamine2-(3,4-Dimethylphenyl)Ethan-1-AmineBenzeneethanamine, 3,4-dimethyl-MFCD013108182-(3,4-dimethylphenyl)ethylamineBenzeneethanamine,3,4-dimethyl-3,4-dimethylphenylethylamine
Show more names
RARECHEM AL BW 03913,4-dimethylbenzenethylamine
SCHEMBL718078IQXUVSNUSQIQCJ-UHFFFAOYSA-N2-(3,4-dimethyl-phenyl)-ethylamineAKOS005217793DS-12501SY109523DB-021945EN300-300196

Database identifiers

CAS
17283-14-6
PubChem CID
410083
DTXSID
DTXSID90328422
EC Number
674-224-8
Nikkaji
J701.473B

Properties

Computed structural properties

XLogP
2
Topological polar surface area
26 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
11

Physicochemical properties

Boiling point
110 °C · 110°C 15mm
Density
0 · 0,94 g/cm3
Flash point
101 ℃ · 101℃
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C
pka
10.15 · 10.15±0.10(Predicted)
Appearance
Colorless to light yellow Liquid

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

ridadr
2735
risk_code
34-41-37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi,C
safety_code
26-36/37/39-39

Chemistry & industry

Upstream & downstream products

Suppliers30 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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