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CAS 108468-00-4 1-(N-Boc-aminomethyl)-4-(aminomethyl)benzene molecular structure lightbox
CAS RN: 108468-00-4

1-(N-Boc-aminomethyl)-4-(aminomethyl)benzene

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250212 10g In stock Inquiry
Batchno.20260602 1g In stock Inquiry
Batchno.20250307 25g Out of stock Inquiry
Batchno.20250822 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250821 1g / 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-009774
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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: 1g, 5g, 10g, 25g, 100g
  • 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 108468-00-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shanghai Inquiry
5g >95% 4 In Stock Shenzhen Inquiry
10g >95% 2 In Stock Beijing Inquiry
25g >95% 2 In Stock Shenzhen Inquiry
100g >95% 1 In Stock Shanghai Inquiry

108468-00-4 / tert-butyl N-[[4-(aminomethyl)phenyl]methyl]carbamate

Tert-butyl N-[[4-(aminomethyl)phenyl]methyl]carbamate | tert-butyl N-{[4-(aminomethyl)phenyl]methyl}carbamate | tert-butyl N-((4-(aminomethyl)phenyl)methyl)carbamate

Standard CAS: 108468-00-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
108468-00-4
Multi CAS
Yes
Molecular Formula
C13H20N2O2
Molecular Weight
236.310000
Exact Mass
236.152478
SMILES
CC(C)(C)OC(=O)NCC1=CC=C(C=C1)CN
InChI
InChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15-9-11-6-4-10(8-14)5-7-11/h4-7H,8-9,14H2,1-3H3,(H,15,16)
InChIKey
NUANLVJLUYWSER-UHFFFAOYSA-N
Synonyms
Tert-butyl N-[[4-(aminomethyl)phenyl]methyl]carbamate tert-butyl N-{[4-(aminomethyl)phenyl]methyl}carbamate tert-butyl N-((4-(aminomethyl)phenyl)methyl)carbamate RefChem:895049 628-429-4

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
67.41
TPSA
64.35

LogP / Solubility

WLOGP
2.17
MLOGP
1.91
XLogP3
1.3
Consensus LogP
1.79
Log S (ESOL)
-2.74
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.36
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)
-2.62

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 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (97.7%): 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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