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CAS 30564-98-8 3,3-dimethylbutan-1-amine hydrochloride molecular structure lightbox
CAS RN: 30564-98-8

3,3-dimethylbutan-1-amine hydrochloride

  • Product code: SSC-135253
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 30564-98-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

30564-98-8 / 3,3-dimethylbutan-1-amine;hydrochloride

Standard CAS: 30564-98-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
30564-98-8
Multi CAS
No
Molecular Formula
C6H16CLN
Molecular Weight
137.650000
Exact Mass
137.097127
InChI
InChI=1S/C6H15N.ClH/c1-6(2,3)4-5-7;/h4-5,7H2,1-3H3;1H
InChIKey
CWISRCWPFJNOGM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.37
TPSA
26.02

LogP / Solubility

WLOGP
1.8
MLOGP
1.58
XLogP3
1.8
Consensus LogP
1.73
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.17
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)
-2.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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