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CAS 357185-97-8 3-Amino-3-methyl-1-butanol Hydrochloride molecular structure lightbox
CAS RN: 357185-97-8

3-Amino-3-methyl-1-butanol Hydrochloride

  • Product code: SSC-142773
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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: 5g
  • Available purity: ≥95%
  • 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 357185-97-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

357185-97-8 / 3-amino-3-methylbutan-1-ol;hydrochloride

Standard CAS: 357185-97-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
357185-97-8
Multi CAS
Yes
Molecular Formula
C5H14CLNO
Molecular Weight
139.620000
Exact Mass
139.076392
InChI
InChI=1S/C5H13NO.ClH/c1-5(2,6)3-4-7;/h7H,3-4,6H2,1-2H3;1H
InChIKey
UNDUJKYWZGSGJK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.22
TPSA
46.25

LogP / Solubility

WLOGP
0.53
MLOGP
0.46
XLogP3
0.53
Consensus LogP
0.51
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.25
Class (SILICOS-IT)
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)
-3.2

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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