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CAS 219511-71-4 1-(tert-Butoxycarbonyl)guanidine molecular structure lightbox
CAS RN: 219511-71-4

1-(tert-Butoxycarbonyl)guanidine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260221 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: SSC-105573
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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, 500g
  • Available purity: ≥98%
  • 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 219511-71-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 5 In Stock Shanghai Inquiry
5g ≥98% 5 In Stock Beijing Inquiry
10g ≥98% 5 In Stock Shenzhen Inquiry
25g ≥98% 4 In Stock Shenzhen Inquiry
100g ≥98% 4 In Stock Shanghai Inquiry
500g ≥98% 0 Out of Stock Shenzhen Inquiry

219511-71-4 / tert-butyl N-(diaminomethylidene)carbamate

Standard CAS: 219511-71-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
219511-71-4
Multi CAS
No
Molecular Formula
C6H13N3O2
Molecular Weight
159.190000
Exact Mass
159.100777
SMILES
CC(C)(C)OC(=O)N=C(N)N
InChI
InChI=1S/C6H13N3O2/c1-6(2,3)11-5(10)9-4(7)8/h1-3H3,(H4,7,8,9,10)
InChIKey
UMOZLQVSOVNSCA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.04
TPSA
90.7

LogP / Solubility

WLOGP
0.19
MLOGP
0.17
XLogP3
0.6
Consensus LogP
0.32
Log S (ESOL)
-0.95
Class (ESOL)
Very soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.86
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.55

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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