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CAS 1172072-62-6 2-(trifluoromethyl)cyclopropan-1-amine hydrochloride molecular structure lightbox
CAS RN: 1172072-62-6

2-(trifluoromethyl)cyclopropan-1-amine hydrochloride

  • Product code: SSC-017088
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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: 0.05g, 0.1g, 0.25g, 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 1172072-62-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥95% 0 Out of Stock Shenzhen Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1172072-62-6 / 2-(trifluoromethyl)cyclopropan-1-amine;hydrochloride

2-(trifluoromethyl)cyclopropan-1-amine hydrochloride | 2-(Trifluoromethyl)cyclopropanamine hydrochloride | MFCD13806389

Standard CAS: 1172072-62-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1172072-62-6
Multi CAS
No
Molecular Formula
C4H7ClF3N
Molecular Weight
161.550000
Exact Mass
161.021911
SMILES
C1C(C1N)C(F)(F)F.Cl
InChI
InChI=1S/C4H6F3N.ClH/c5-4(6,7)2-1-3(2)8;/h2-3H,1,8H2;1H
InChIKey
SOHXDJVKUXKZIJ-UHFFFAOYSA-N
Synonyms
2-(trifluoromethyl)cyclopropan-1-amine hydrochloride 2-(Trifluoromethyl)cyclopropanamine hydrochloride MFCD13806389 2-(trifluoromethyl)cyclopropanamine;hydrochloride Cyclopropanamine, 2-(trifluoromethyl)-, hydrochloride (1:1)

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
29.39
TPSA
26.02

LogP / Solubility

WLOGP
1.32
MLOGP
1.15
XLogP3
1.32
Consensus LogP
1.26
Log S (ESOL)
-1.67
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
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)
-2.77

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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