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CAS 54-97-7 2-Phenylcyclopropane-1-amine molecular structure lightbox
CAS RN: 54-97-7

2-Phenylcyclopropane-1-amine

  • Product code: SSC-161484
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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 54-97-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

54-97-7 / 2-phenylcyclopropan-1-amine

Standard CAS: 54-97-7 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
54-97-7
Multi CAS
Yes
Molecular Formula
C9H11N
Molecular Weight
133.190000
Exact Mass
133.089149
InChI
InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
InChIKey
AELCINSCMGFISI-UHFFFAOYSA-N

Physical Properties

Melting Point
79-80 °C at 1.50E+00 mm Hg MP: 164-166 °C /Hydrochloride/
Boiling Point
79-80 °C @ 1.5-1.6 mm Hg
Appearance
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.78
TPSA
26.02

LogP / Solubility

WLOGP
1.5
MLOGP
1.31
XLogP3
1.5
Consensus LogP
1.44
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
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)
-2.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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