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CAS 19059-68-8 3-Dimethylamino-2,2-dimethyl-1-propanol molecular structure lightbox
CAS RN: 19059-68-8

3-Dimethylamino-2,2-dimethyl-1-propanol

  • Product code: SSC-089210
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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: 25ml
  • 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 19059-68-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25ml ≥95% 0 Out of Stock Beijing Inquiry

19059-68-8 / 3-(dimethylamino)-2,2-dimethylpropan-1-ol

Standard CAS: 19059-68-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
19059-68-8
Multi CAS
No
Molecular Formula
C7H17NO
Molecular Weight
131.220000
Exact Mass
131.131014
SMILES
CC(C)(CN(C)C)CO
InChI
InChI=1S/C7H17NO/c1-7(2,6-9)5-8(3)4/h9H,5-6H2,1-4H3
InChIKey
PYEWZDAEJUUIJX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.42
TPSA
23.47

LogP / Solubility

WLOGP
0.57
MLOGP
0.49
XLogP3
0.8
Consensus LogP
0.62
Log S (ESOL)
-0.81
Class (ESOL)
Very soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.34
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)
-3.12

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Flammable Corrosive
Signal
Danger
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P363, P370+P378, P403+P235, P405, and P501

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