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CAS 1212120-62-1 (R)-1,1,1-Trifluoro-2-butylaMine hydrochloride molecular structure lightbox
CAS RN: 1212120-62-1

(R)-1,1,1-Trifluoro-2-butylaMine hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260527 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-022974
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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 1212120-62-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1212120-62-1 / (2R)-1,1,1-trifluorobutan-2-amine;hydrochloride

1,1,1-trifluorobutan-2-amine hydrochloride | RefChem:409495 | 632-617-1

Standard CAS: 1212120-62-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1212120-62-1
Multi CAS
Yes
Molecular Formula
C4H9ClF3N
Molecular Weight
163.570000
Exact Mass
163.037562
SMILES
CC[C@H](C(F)(F)F)N.Cl
InChI
InChI=1S/C4H8F3N.ClH/c1-2-3(8)4(5,6)7;/h3H,2,8H2,1H3;1H/t3-;/m1./s1
InChIKey
BPUMYAARUOVRFP-AENDTGMFSA-N
Synonyms
1,1,1-trifluorobutan-2-amine hydrochloride RefChem:409495 632-617-1 1,1,1-Trifluoro-2-butanamine hydrochloride (+/-)-1,1,1-Trifluoro-2-butanamine hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
31.57
TPSA
26.02

LogP / Solubility

WLOGP
1.71
MLOGP
1.5
XLogP3
1.71
Consensus LogP
1.64
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2.13
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.26
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)
-2.51

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)
Irritant
Signal
Warning
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]
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

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