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CAS 1253955-71-3 2-(Boc-amino)-2-phenylethylamine Hydrochloride molecular structure lightbox
CAS RN: 1253955-71-3

2-(Boc-amino)-2-phenylethylamine Hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260107 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-030118
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1253955-71-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 2 In Stock Shanghai Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1253955-71-3 / tert-butyl N-(2-amino-1-phenylethyl)carbamate;hydrochloride

Standard CAS: 1253955-71-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1253955-71-3
Multi CAS
No
Molecular Formula
C13H21ClN2O2
Molecular Weight
272.770000
Exact Mass
272.129156
SMILES
CC(C)(C)OC(=O)NC(CN)C1=CC=CC=C1.Cl
InChI
InChI=1S/C13H20N2O2.ClH/c1-13(2,3)17-12(16)15-11(9-14)10-7-5-4-6-8-10;/h4-8,11H,9,14H2,1-3H3,(H,15,16);1H
InChIKey
LNGDOFMYIHYSAU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
74.86
TPSA
64.35

LogP / Solubility

WLOGP
2.63
MLOGP
2.33
XLogP3
2.63
Consensus LogP
2.53
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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