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CAS 120157-97-3 N-BOC-2-(4-BROMO-PHENYL)-ETHYLAMINE molecular structure lightbox
CAS RN: 120157-97-3

N-BOC-2-(4-BROMO-PHENYL)-ETHYLAMINE

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250329 100g In stock Shanghai Inquiry
Batchno.20250626 10g In stock Shanghai, Tianjin Inquiry
Batchno.20250219 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20251206 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250920 25g In stock Shanghai, Wuhan Inquiry
Batchno.20251206 500g In stock Shanghai Inquiry
Batchno.20250502 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
  • Product code: SSC-020938
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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, 5g
  • Available purity: ＞97%
  • 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 120157-97-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

120157-97-3 / tert-butyl N-[2-(4-bromophenyl)ethyl]carbamate

[2-(4-Bromo-phenyl)ethyl]-carbamic acid tert-butyl ester | (2-(4-Bromo-phenyl)ethyl)-carbamic acid tert-butyl ester | RefChem:394943

Standard CAS: 120157-97-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
120157-97-3
Multi CAS
No
Molecular Formula
C13H18BrNO2
Molecular Weight
300.190000
Exact Mass
299.052090
SMILES
CC(C)(C)OC(=O)NCCC1=CC=C(C=C1)Br
InChI
InChI=1S/C13H18BrNO2/c1-13(2,3)17-12(16)15-9-8-10-4-6-11(14)7-5-10/h4-7H,8-9H2,1-3H3,(H,15,16)
InChIKey
MRQBIMZMDWOQLF-UHFFFAOYSA-N
Synonyms
[2-(4-Bromo-phenyl)ethyl]-carbamic acid tert-butyl ester (2-(4-Bromo-phenyl)ethyl)-carbamic acid tert-butyl ester RefChem:394943 601-674-4 N-Boc-2-(4-bromophenyl)ethylamine

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
72.08
TPSA
38.33

LogP / Solubility

WLOGP
3.52
MLOGP
3.11
XLogP3
3.6
Consensus LogP
3.41
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.56
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.89
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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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