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CAS 10342-97-9 N,N-Diisopropylmethylamine molecular structure lightbox
CAS RN: 10342-97-9

N,N-Diisopropylmethylamine

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Batch No.PackageAvailabilityWarehouseInquiry
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
No
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
8
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
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
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
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

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