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CAS 121102-88-3 N-Boc-2-broMo-1-propanaMine molecular structure lightbox
CAS RN: 121102-88-3

N-Boc-2-broMo-1-propanaMine

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260220 1g In stock Shanghai Inquiry
Batchno.20251118 250mg In stock Shanghai, Shandong Inquiry
  • Product code: SSC-022473
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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, 10g, 1g, 0.1g, 0.25g
  • Available purity: >95%
  • Inventory rows with stock: 5
  • 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 121102-88-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 5 In Stock Shenzhen Inquiry
10g >95% 5 In Stock Hong Kong Inquiry
1g >95% 4 In Stock Shanghai Inquiry
0.1g >95% 3 In Stock Shanghai Inquiry
0.25g >95% 2 In Stock Shenzhen Inquiry

121102-88-3 / tert-butyl N-(2-bromopropyl)carbamate

tert-butyl (2-bromopropyl)carbamate | RefChem:891581 | 822-411-1

Standard CAS: 121102-88-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
121102-88-3
Multi CAS
Yes
Molecular Formula
C8H16BrNO2
Molecular Weight
238.120000
Exact Mass
237.036440
SMILES
CC(CNC(=O)OC(C)(C)C)Br
InChI
InChI=1S/C8H16BrNO2/c1-6(9)5-10-7(11)12-8(2,3)4/h6H,5H2,1-4H3,(H,10,11)
InChIKey
KHFDEFLMWSUKAS-UHFFFAOYSA-N
Synonyms
tert-butyl (2-bromopropyl)carbamate RefChem:891581 822-411-1 N-Boc-2-bromo-1-propanamine tert-butyl N-(2-bromopropyl)carbamate

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.63
TPSA
38.33

LogP / Solubility

WLOGP
2.29
MLOGP
2.02
XLogP3
2.1
Consensus LogP
2.14
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.17
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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