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CAS 4261-67-0 3-Dimethylamino-2-methylpropyl chloride hydrochloride molecular structure lightbox
CAS RN: 4261-67-0

3-Dimethylamino-2-methylpropyl chloride hydrochloride

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251225 100g In stock Inquiry
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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260323 5g / 10g / 25g / 100g / 500g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS4261-67-0
  • Purity/Analytical Methods: >99.0%
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4261-67-0 / 3-chloro-N,N,2-trimethylpropan-1-amine;hydrochloride

Standard CAS: 4261-67-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4261-67-0
Multi CAS
Yes
Molecular Formula
C6H15CL2N
Molecular Weight
172.090000
Exact Mass
171.058155
InChI
InChI=1S/C6H14ClN.ClH/c1-6(4-7)5-8(2)3;/h6H,4-5H2,1-3H3;1H
InChIKey
SOMIBONUMGNAEP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.69
TPSA
3.24

LogP / Solubility

WLOGP
1.84
MLOGP
1.62
XLogP3
1.84
Consensus LogP
1.77
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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)
-2.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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