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CAS 16689-35-3 tert-Butyl 3-(Isopropyl)carbazate molecular structure lightbox
CAS RN: 16689-35-3

tert-Butyl 3-(Isopropyl)carbazate

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251209 1g In stock Inquiry
Batchno.20260216 250mg In stock Inquiry
Batchno.20250928 5g In stock Inquiry
  • Product code: SSC-072816
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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: 0.25g, 1g, 5g
  • Available purity: >97%
  • 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 16689-35-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 2 In Stock Shenzhen Inquiry
1g >97% 0 Out of Stock Hong Kong Inquiry
5g >97% 0 Out of Stock Beijing Inquiry

16689-35-3 / tert-butyl N-(propan-2-ylamino)carbamate

Standard CAS: 16689-35-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
16689-35-3
Multi CAS
No
Molecular Formula
C8H18N2O2
Molecular Weight
174.240000
Exact Mass
174.136828
SMILES
CC(C)NNC(=O)OC(C)(C)C
InChI
InChI=1S/C8H18N2O2/c1-6(2)9-10-7(11)12-8(3,4)5/h6,9H,1-5H3,(H,10,11)
InChIKey
PUAKAEDMCXRDPR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
47.64
TPSA
50.36

LogP / Solubility

WLOGP
1.42
MLOGP
1.25
XLogP3
1.5
Consensus LogP
1.39
Log S (ESOL)
-1.69
Class (ESOL)
Soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
Class (SILICOS-IT)
Moderately 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)
-2.77

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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