2,2-Diethoxyethylamine

HCID 69524CAS 645-36-3
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(CN)OCC
InChIKey
HJKLEAOXCZIMPI-UHFFFAOYSA-N
Molecular formula
C6H15NO2
Average molar mass
133.19 g/mol
Monoisotopic mass
133.11027872

Names & identifiers

Preferred name
2,2-Diethoxyethylamine
IUPAC
2,2-diethoxyethanamine
English name
2,2-Diethoxyethylamine
Molecular formula
C6H15NO2
Molecular weight
133.19

Names & synonyms

2,2-Diethoxyethylamine2,2-DiethoxyethanamineAminoacetaldehyde diethyl acetalEthanamine, 2,2-diethoxy-diethoxyethylamineAminoacetaldehyde acetal1-amino-2,2-diethoxyethane658AO12BQLEINECS 211-439-4NSC-19501UNII-658AO12BQL1,1-diethoxy-2-aminoethane
Show more names
2,2-diethoxyethan-1-aMineAminoacetaldehydeAMINOACETALB-AMINOACETALAcetalylamine2-AminoethanalAminoacetal >RARECHEM AL BW 2181
2,2-bis(ethyloxy)ethanamineDTXSID4060945HJKLEAOXCZIMPI-UHFFFAOYSA-RefChem:80997DTXCID4044329HJKLEAOXCZIMPI-UHFFFAOYSA-NInChI=1/C6H15NO2/c1-3-8-6(5-7)9-4-2/h6H,3-5,7H2,1-2H3645-36-3

Database identifiers

CAS
645-36-3
PubChem CID
69524
DTXSID
DTXSID4060945
ChEMBL
CHEMBL5081110
UNII
658AO12BQL
EC Number
211-439-4
Nikkaji
J12.475C

Properties

Computed structural properties

XLogP
-0.1
Topological polar surface area
44.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
9

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient
Density0.898 @25 °C
Boiling Point170 °C @760 [mm Hg]
Melting Point-50 °C
Vapor Pressure1 [mm Hg] @20 °C

Physicochemical properties

Melting point
-78 · -78
Boiling point
162 · 162-163 °C (lit.)
Density
0.916 g/mL · 0.916 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.417(lit.)
Flash point
114 °F · 114 °F
storage temp.
2 · Keep in dark place,Inert atmosphere,2-8°C

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 53 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: Ethanamine, 2,2-diethoxy-
Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety & protection

Protective Action Criteria (PAC) · 3 items

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

Safety data

PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
ridadr
UN 1989 3/PG 3
hs_code
29225090
risk_code
10-36/37/38-34

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanamine, 2,2-diethoxy-: ACTIVE

Applications

UsesAminoacetaldehyde diethyl acetal, is used as an agrochemical intermediate, pharmaceutical, syntheses material intermediate.

Upstream & downstream products

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]

Related reactions

260 records
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Linked notes

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