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CAS 101974-69-0 3-cyclopropylprop-2-yn-1-ol molecular structure lightbox
CAS RN: 101974-69-0

3-cyclopropylprop-2-yn-1-ol

  • Product code: SSC-003125
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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, 5g
  • Available purity: ＞97%
  • 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 101974-69-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

101974-69-0 / 3-cyclopropylprop-2-yn-1-ol

3-cyclopropylprop-2-yn-1-ol | DTXSID90383157 | RefChem:278870

Standard CAS: 101974-69-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
101974-69-0
Multi CAS
No
Molecular Formula
C6H8O
Molecular Weight
96.130000
Exact Mass
96.057515
SMILES
C1CC1C#CCO
InChI
InChI=1S/C6H8O/c7-5-1-2-6-3-4-6/h6-7H,3-5H2
InChIKey
YPBRKXFDMDCCEA-UHFFFAOYSA-N
Synonyms
3-cyclopropylprop-2-yn-1-ol DTXSID90383157 RefChem:278870 DTXCID10334181 822-639-1

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.67
H-bond acceptors
1
H-bond donors
1
Molar refractivity
27.59
TPSA
20.23

LogP / Solubility

WLOGP
0.39
MLOGP
0.33
XLogP3
0.7
Consensus LogP
0.47
Log S (ESOL)
-0.68
Class (ESOL)
Very soluble
Log S (Ali)
-0.63
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.61
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)
-3.03

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)
Flammable Irritant
Signal
Warning
GHS Hazard Statements
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

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