CAS 10342-97-9 N,N-Diisopropylmethylamine molecular structure

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CAS RN: 10342-97-9

N,N-Diisopropylmethylamine

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Batch No.	Package	Availability	Warehouse	Inquiry
Batchno.20250415	1ml / 5ml / 25ml	Confirm by inquiry	Shanghai, Shandong, Guangdong	Inquiry

Product code: starshine_CAS10342-97-9
Purity/Analytical Methods: >99.0%

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10342-97-9 / N-methyl-N-propan-2-ylpropan-2-amine

N,N-Diisopropylmethylamine | DTXSID20338190 | RefChem:822357

Standard CAS: 10342-97-9 Multi CAS: No

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

10342-97-9

Multi CAS

Molecular Formula

C7H17N

Molecular Weight

115.220000

Exact Mass

115.136100

SMILES

CC(C)N(C)C(C)C

InChI

InChI=1S/C7H17N/c1-6(2)8(5)7(3)4/h6-7H,1-5H3

InChIKey

ISRXMEYARGEVIU-UHFFFAOYSA-N

Synonyms

N,N-Diisopropylmethylamine DTXSID20338190 RefChem:822357 DTXCID00289277 600-434-6

Computed Properties

Structural Parameters

Heavy atom count

Fraction Csp3

Rotatable bonds

H-bond acceptors

Molar refractivity

38.03

TPSA

3.24

LogP / Solubility

WLOGP

1.74

MLOGP

1.52

XLogP3

1.9

Consensus LogP

1.72

Log S (ESOL)

-1.52

Class (ESOL)

Soluble

Log S (Ali)

-1.76

Class (Ali)

Soluble

Log S (SILICOS-IT)

-2.09

Class (SILICOS-IT)

Moderately soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-2.19

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

1.5

Safety & Transport

Pictogram(s)

Flammable Corrosive

Signal

Danger

GHS Hazard Statements

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Precautionary Statement Codes

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