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CAS 1060817-49-3 1-(5-cyclopropylisoxazol-3-yl)methanamine molecular structure lightbox
CAS RN: 1060817-49-3

1-(5-cyclopropylisoxazol-3-yl)methanamine

  • Product code: SSC-007914
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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 1060817-49-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1060817-49-3 / (5-cyclopropyl-1,2-oxazol-3-yl)methanamine;hydrochloride

(5-cyclopropylisoxazol-3-yl)methanamine | 1-(5-CYCLOPROPYL-3-ISOXAZOLYL)METHANAMINE | MFCD11053974

Standard CAS: 1060817-49-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1060817-49-3
Multi CAS
Yes
Molecular Formula
C7H11ClN2O
Molecular Weight
174.630000
Exact Mass
174.055991
SMILES
C1CC1C2=CC(=NO2)CN.Cl
InChI
InChI=1S/C7H10N2O.ClH/c8-4-6-3-7(10-9-6)5-1-2-5;/h3,5H,1-2,4,8H2;1H
InChIKey
KESPLEVQOQAPRT-UHFFFAOYSA-N
Synonyms
(5-cyclopropylisoxazol-3-yl)methanamine 1-(5-CYCLOPROPYL-3-ISOXAZOLYL)METHANAMINE MFCD11053974 5-Cyclopropylisoxazole-3-methanamine 1-(5-cyclopropylisoxazol-3-yl)methanamine hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
43.62
TPSA
52.05

LogP / Solubility

WLOGP
1.43
MLOGP
1.26
XLogP3
1.43
Consensus LogP
1.37
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
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)
-2.77

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)
Irritant Acute Toxic
Signal
Warning Danger
GHS Hazard Statements
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] H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 P264, P270, P301+P316, P321, P330, P405, and P501

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