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N-(2,2-diethoxyethyl)pyridine-2-methylamine

HCID 81407
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Basic information

CAS
6957-15-9
Standard SMILES
CCOC(CNCc1ccccn1)OCC
InChIKey
INTMTQABLHWPSW-UHFFFAOYSA-N
Molecular formula
C12H20N2O2
Average molar mass
224.3 g/mol
Monoisotopic mass
224.15247789

Names & identifiers

Preferred name
N-(2,2-diethoxyethyl)pyridine-2-methylamine
IUPAC
2,2-diethoxy-N-(pyridin-2-ylmethyl)ethanamine
English name
N-(2,2-diethoxyethyl)pyridine-2-methylamine
Molecular formula
C12H20N2O2
Molecular weight
224.2994

Names & synonyms

6957-15-9N-(2,2-Diethoxyethyl)pyridine-2-methylamineN-(2,2-Diethoxyethyl)-2-pyridinemethanamineEINECS 230-144-1DTXSID90219826NSC 66182RefChem:823774DTXCID40142317230-144-1NSC-661822,2-diethoxy-n-(pyridin-2-ylmethyl)ethanamineNSC66182
Show more names
(2-PYRIDYLMETHYLAMINO)-ACETALDEHYDE DIETHYL ACETAL
TW4NT3RLJ72-Pyridinemethanamine, N-(2,2-diethoxyethyl)-SCHEMBL1285469AKOS017275320DB-387076(2-pyridinylmethylamino)ethanal diethylacetalNS000368922,2-diethoxy-N-(2-pyridinylmethyl)ethanamine

Database identifiers

CAS
6957-15-9
PubChem CID
81407
DTXSID
DTXSID90219826
UNII
TW4NT3RLJ7
EC Number
230-144-1
Nikkaji
J266.000H

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
43.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
16
Formal charge
0
Complexity
161

Physicochemical properties

Comptox DTXSID
90219826 · DTXSID90219826
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H335-H319-H302
Precautionary statements
264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
HS Code
2933399090 · 2933399090

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

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)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code
2933399090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H335-H319-H302
Precautionary statements
P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501

Related reactions

4 records
New reaction record
HRID 2274650 reaction equation
HRID 2274650As productuspto-grants-2015_09
HRID 2274674 reaction equation
HRID 2274674As reactantuspto-grants-2015_09
HRID 2361973 reaction equation
HRID 2361973As productuspto-grants-2014_04
HRID 2361996 reaction equation
HRID 2361996As reactantuspto-grants-2014_04

Compound notes

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