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CAS 1181405-27-5 2-amino-1-(4-isopropoxyphenyl)ethanol molecular structure lightbox
CAS RN: 1181405-27-5

2-amino-1-(4-isopropoxyphenyl)ethanol

  • Product code: SSC-017939
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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: 0.25g
  • 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 1181405-27-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1181405-27-5 / 2-amino-1-(4-propan-2-yloxyphenyl)ethanol

2-amino-1-[4-(propan-2-yloxy)phenyl]ethan-1-ol | 2-Amino-1-(4-(propan-2-yloxy)phenyl)ethan-1-ol | RefChem:463103

Standard CAS: 1181405-27-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1181405-27-5
Multi CAS
No
Molecular Formula
C11H17NO2
Molecular Weight
195.260000
Exact Mass
195.125929
SMILES
CC(C)OC1=CC=C(C=C1)C(CN)O
InChI
InChI=1S/C11H17NO2/c1-8(2)14-10-5-3-9(4-6-10)11(13)7-12/h3-6,8,11,13H,7,12H2,1-2H3
InChIKey
QWXSKTDBYAVWAF-UHFFFAOYSA-N
Synonyms
2-amino-1-[4-(propan-2-yloxy)phenyl]ethan-1-ol 2-Amino-1-(4-(propan-2-yloxy)phenyl)ethan-1-ol RefChem:463103 964-821-4 2-Amino-1-(4-isopropoxyphenyl)ethanol

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
56.22
TPSA
55.48

LogP / Solubility

WLOGP
1.47
MLOGP
1.29
XLogP3
0.9
Consensus LogP
1.22
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
Class (SILICOS-IT)
Moderately 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)
-2.87

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H335 (100%): 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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