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CAS 187399-72-0 2,2-DIMETHYL-1-PROPANOXYAMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 187399-72-0

2,2-DIMETHYL-1-PROPANOXYAMINE HYDROCHLORIDE

  • Product code: SSC-087120
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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 187399-72-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

187399-72-0 / O-(2,2-dimethylpropyl)hydroxylamine;hydrochloride

Standard CAS: 187399-72-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
187399-72-0
Multi CAS
No
Molecular Formula
C5H14ClNO
Molecular Weight
139.620000
Exact Mass
139.076392
SMILES
CC(C)(C)CON.Cl
InChI
InChI=1S/C5H13NO.ClH/c1-5(2,3)4-7-6;/h4,6H2,1-3H3;1H
InChIKey
NNOXCPGCDWRACS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
36.84
TPSA
35.25

LogP / Solubility

WLOGP
1.34
MLOGP
1.18
XLogP3
1.34
Consensus LogP
1.29
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
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)
-2.62

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
1.5

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