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CAS 40916-61-8 1-Propanol, 2-(MethylaMino)-, hydrochloride, (S)- (9CI) molecular structure lightbox
CAS RN: 40916-61-8

1-Propanol, 2-(MethylaMino)-, hydrochloride, (S)- (9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250825 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-149301
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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: ≥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 40916-61-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

40916-61-8 / (2S)-2-(methylamino)propan-1-ol;hydrochloride

Standard CAS: 40916-61-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
40916-61-8
Multi CAS
Yes
Molecular Formula
C4H12CLNO
Molecular Weight
125.600000
Exact Mass
125.060742
InChI
InChI=1S/C4H11NO.ClH/c1-4(3-6)5-2;/h4-6H,3H2,1-2H3;1H/t4-;/m0./s1
InChIKey
ZDLYDAGNAVKVBZ-WCCKRBBISA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.86
TPSA
32.26

LogP / Solubility

WLOGP
0.01
XLogP3
0.01
Consensus LogP
0.01
Log S (ESOL)
-0.49
Class (ESOL)
Very soluble
Log S (Ali)
-0.6
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.72
Class (SILICOS-IT)
Very 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)
-3.48

Drug-likeness / Medicinal Chemistry

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

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