3-Isopropoxypropylamine

C₆H₁₅NOCAS 2906-12-9117.19 g/mol

Open in Covalent MOL file

Ether Primary amine

Properties

Molecular formula: C₆H₁₅NO
Molar mass: 117.19 g/mol
Exact mass: 117.1154 Da
Density: 0.845 g/mL (at 20 °C)
Boiling point: 85–86 °C (at 102 Torr)
logP: 0.76Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed70.6% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H317 May cause an allergic skin reaction70.6% of notifiers
H318 Causes serious eye damage71.9% of notifiers
H335 May cause respiratory irritation70.6% of notifiers
H412 Harmful to aquatic life with long lasting effects71.2% of notifiers

Aggregated from 153 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

2906-12-9

SMILES

CC(C)OCCCN

InChIKey

VHYUNSUGCNKWSO-UHFFFAOYSA-N

InChI

InChI=1S/C6H15NO/c1-6(2)8-5-3-4-7/h6H,3-5,7H2,1-2H3

Weigh it out

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

Names and synonyms

11 names

1-Propanamine, 3-(1-methylethoxy)-
Propylamine, 3-isopropoxy-
3-(1-Methylethoxy)-1-propanamine
3-Isopropoxy-1-propylamine
3-Aminopropyl isopropyl ether
3-Isopropoxy-1-propanamine
NSC 815
[3-[(1-Methylethyl)oxy]propyl]amine
3-(1-Methylethoxy)propan-1-amine
3-(Propan-2-yloxy)propan-1-amine
3-Propan-2-yloxypropan-1-amine

Work with 3-Isopropoxypropylamine

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

3-Methoxypropylamine5332-73-046 % similar Isopropylethanediol109-59-144 % similar 4,7,10-Trioxatridecane-1,13-diamine4246-51-943 % similar 4,9-Dioxa-1,12-dodecanediamine7300-34-743 % similar 3-Ethoxypropylamine6291-85-642 % similar 3-Butoxy-1-propanamine16499-88-041 % similar 4,4-Diethoxy-1-butanamine6346-09-438 % similar 3-(Dodecyloxy)propylamine7617-74-538 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Diethylethanolamine100-37-8 Butylethanolamine111-75-1 (2R)-2-Amino-3,3-dimethylbutan-1-ol112245-09-7 (2S)-2-Amino-3,3-dimethyl-1-butanol112245-13-3 (2S,3S)-2-Amino-3-methyl-1-pentanol24629-25-2 6-Amino-1-hexanol4048-33-3 2-(tert-Butylamino)ethanol4620-70-6 D-Leucinol53448-09-2

Elsewhere

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