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CAS 1083396-36-4 1-(OXAZOL-2-YL)ETHANAMINE molecular structure lightbox
CAS RN: 1083396-36-4

1-(OXAZOL-2-YL)ETHANAMINE

  • Product code: SSC-009739
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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 1083396-36-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1083396-36-4 / 1-(1,3-oxazol-2-yl)ethanamine

1-(1,3-oxazol-2-yl)ethan-1-amine | RefChem:419397 | 851-811-9

Standard CAS: 1083396-36-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1083396-36-4
Multi CAS
No
Molecular Formula
C5H8N2O
Molecular Weight
112.130000
Exact Mass
112.063663
SMILES
CC(C1=NC=CO1)N
InChI
InChI=1S/C5H8N2O/c1-4(6)5-7-2-3-8-5/h2-4H,6H2,1H3
InChIKey
CWJDVDQXFIORGV-UHFFFAOYSA-N
Synonyms
1-(1,3-oxazol-2-yl)ethan-1-amine RefChem:419397 851-811-9 1-(Oxazol-2-yl)ethanamine MFCD10700189

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
29.11
TPSA
52.05

LogP / Solubility

WLOGP
0.69
MLOGP
0.6
XLogP3
-0.4
Consensus LogP
0.3
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.09
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)
-2.91

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)
Flammable Corrosive Irritant
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] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501

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