CAS 57390-38-2 2,2-Dimethoxy-1-methylethylamine (HCID 93658)

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Basic information

CAS: 57390-38-2
Standard SMILES: COC(OC)C(C)N
InChIKey: GZOKAVHTSXSLNB-UHFFFAOYSA-N
Molecular formula: C5H13NO2
Average molar mass: 119.16 g/mol
Monoisotopic mass: 119.09462866

Names & identifiers

Preferred name: 2,2-Dimethoxy-1-methylethylamine
IUPAC: 1,1-dimethoxypropan-2-amine
English name: 1,1-Dimethoxy-2-propanamine
Molecular formula: C5H13NO2
Molecular weight: 119.16

Names & synonyms

57390-38-21,1-Dimethoxy-2-propanamine2,2-Dimethoxy-1-methylethylamine2-Propanamine, 1,1-dimethoxy-EINECS 260-717-1RefChem:441194260-717-11,1-dimethoxypropan-2-amine2-Propanamine,1,1-dimethoxy-2-aminopropionaldehyde dimethyl acetalMFCD00082189SCHEMBL924549

Show more names

SCHEMBL11051102DTXSID50972884aminopropionaldehyde dimethyl acetal2-aminopropionaldehyde dimethylacetalAKOS009156875alpha-aminopropionaldehyde dimethyl acetalBS-12941SY191797

Database identifiers

CAS: 57390-38-2
PubChem CID: 93658
DTXSID: DTXSID50972884
EC Number: 260-717-1
Nikkaji: J349.148J

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 44.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 54.4

Physicochemical properties

Boiling point: 149.3 · 149.3±20.0 °C(Predicted)
Density: 0.929 · 0.929±0.06 g/cm3(Predicted)
pka: 7 · 7.00±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 261 · P261-P305+P351+P338

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, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, 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

Regulatory Information2,2-Dimethoxy-1-methylethylamine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses1,1-Dimethoxy-2-propanamine, can be used for the synthesis of N-protected α-amino aldehydes occur as C-terminal units of peptide aldehydes with enzyme inhibitor activity, such as Leupeptin. They can also be used for the preparation of amino sugars, and unusual amino acids.