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CAS 10575-25-4 4-Diethylamino-2-butyn-1-ol molecular structure lightbox
CAS RN: 10575-25-4

4-Diethylamino-2-butyn-1-ol

  • Product code: SSC-007449
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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: 5ml
  • 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 10575-25-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5ml ≥95% 0 Out of Stock Shenzhen Inquiry

10575-25-4 / 4-(diethylamino)but-2-yn-1-ol

4-(Diethylamino)-2-butyn-1-ol | 2-Butyn-1-ol, 4-(diethylamino)- | EINECS 234-163-6

Standard CAS: 10575-25-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10575-25-4
Multi CAS
Yes
Molecular Formula
C8H15NO
Molecular Weight
141.210000
Exact Mass
141.115364
SMILES
CCN(CC)CC#CCO
InChI
InChI=1S/C8H15NO/c1-3-9(4-2)7-5-6-8-10/h10H,3-4,7-8H2,1-2H3
InChIKey
ACGZBRWTWOZSFU-UHFFFAOYSA-N
Synonyms
4-(Diethylamino)-2-butyn-1-ol 2-Butyn-1-ol, 4-(diethylamino)- EINECS 234-163-6 MA2DE62U5W DTXSID30147311

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
42.65
TPSA
23.47

LogP / Solubility

WLOGP
0.32
MLOGP
0.28
XLogP3
0.4
Consensus LogP
0.33
Log S (ESOL)
-0.72
Class (ESOL)
Very soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.21
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)
-3.35

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (30.8%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (98.5%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (98.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (96.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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