1-Amino-3,3-diethoxypropane

C₇H₁₇NO₂CAS 41365-75-7147.22 g/mol

Open in Covalent MOL file

Acetal Ether Primary amine

Properties

Molecular formula: C₇H₁₇NO₂
Molar mass: 147.22 g/mol
Exact mass: 147.1259 Da
logP: 0.73Crippen estimate
Polar surface area: 44.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 6

Hazards

Danger

H302 Harmful if swallowed12.8% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501

Identifiers

CAS number

41365-75-7

SMILES

CCOC(CCN)OCC

InChIKey

PXXMSHBZYAOHBD-UHFFFAOYSA-N

InChI

InChI=1S/C7H17NO2/c1-3-9-7(5-6-8)10-4-2/h7H,3-6,8H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 1-Amino-3,3-diethoxypropane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,4-Diethoxy-1-butanamine6346-09-474 % similar 1,3-Dioxolane-2-ethanamine5754-35-859 % similar Aminoacetaldehyde diethylacetal645-36-357 % similar 3,3-Diethoxy-1-propanol16777-87-052 % similar 3-Chloro-1,1-diethoxypropane35573-93-452 % similar 1,1,3-Triethoxypropane7789-92-652 % similar 1,1,3,3-Tetraethoxypropane122-31-650 % similar 1,1-Diethoxyhexane3658-93-350 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Dimethylformamide diethylacetal1188-33-6 (S)-3-(tert-Butylamino)propane-1,2-diol30315-46-9 3-(Diethylamino)-1,2-propanediol621-56-7

Elsewhere

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