6-Ethoxy-1,2,3,4-tetrahydroisoquinoline

HCID 45116
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Basic information

CAS
630407-52-2
Standard SMILES
CCOc1ccc2c(c1)CCNC2
InChIKey
WRHBHXZLVGXOTR-UHFFFAOYSA-N
Molecular formula
C11H15NO
Average molar mass
177.24 g/mol

Names & identifiers

Preferred name
6-Ethoxy-1,2,3,4-tetrahydroisoquinoline
IUPAC
6-ethoxy-1,2,3,4-tetrahydroisoquinoline
English name
Isoquinoline, 6-ethoxy-1,2,3,4-tetrahydro- (9CI)
Molecular formula
C11H15NO
Molecular weight
177.24

Names & synonyms

6-ethoxy-1,2,3,4-tetrahydroisoquinoline630407-52-2Isoquinoline, 6-ethoxy-1,2,3,4-tetrahydro- (9CI)SCHEMBL3896744WRHBHXZLVGXOTR-UHFFFAOYSA-NFAB40752AKOS0137088296-Ethoxy-1,2,3,4-tetrahydro-isoquinolineDB-369273CS-0222971EN300-113386Z1224524462
Show more names
Isoquinoline, 6-ethoxy-1,2,3,4-tetrahydro-

Database identifiers

CAS
630407-52-2
PubChem CID
45116
EC Number
883-369-8

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
21.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
13

Physicochemical properties

Boiling point
298.6 · 298.6±40.0 °C(Predicted)
Density
1.025 · 1.025±0.06 g/cm3(Predicted)
pka
9.68 · 9.68±0.20(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335

Safety & regulation

Safety data

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

Chemistry & industry

Suppliers2 total

CHEMSTEP[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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CAS 630407-52-2 6-Ethoxy-1,2,3,4-tetrahydroisoquinoline (HCID 45116)｜Huagongshe