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CAS 90434-44-9 1-Propanol, 2-methyl-2-[(1-methylethyl)amino]- molecular structure lightbox
CAS RN: 90434-44-9

1-Propanol, 2-methyl-2-[(1-methylethyl)amino]-

  • Product code: SSC-202967
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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 90434-44-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

90434-44-9 / 2-methyl-2-(propan-2-ylamino)propan-1-ol

Standard CAS: 90434-44-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
90434-44-9
Multi CAS
No
Molecular Formula
C7H17NO
Molecular Weight
131.220000
Exact Mass
131.131014
InChI
InChI=1S/C7H17NO/c1-6(2)8-7(3,4)5-9/h6,8-9H,5H2,1-4H3
InChIKey
WZSRNAWJDQGJEY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
39.44
TPSA
32.26

LogP / Solubility

WLOGP
0.76
MLOGP
0.66
XLogP3
0.5
Consensus LogP
0.64
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-1.18
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.5
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)
-2.98

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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