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CAS 118080-79-8 Carbamic acid, [(1S)-1-methyl-2-propynyl]-, 1,1-dimethylethyl ester (9CI) molecular structure lightbox
CAS RN: 118080-79-8

Carbamic acid, [(1S)-1-methyl-2-propynyl]-, 1,1-dimethylethyl ester (9CI)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260329 100mg / 250mg / 500mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-017910
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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: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: >97%
  • Inventory rows with stock: 9
  • 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 118080-79-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Beijing Inquiry
0.25g >97% 5 In Stock Beijing Inquiry
1g >97% 5 In Stock Shenzhen Inquiry
5g >97% 5 In Stock Shanghai Inquiry
0.1g -- 2 In Stock Shenzhen Inquiry
0.25g -- 2 In Stock Shenzhen Inquiry
1g -- 2 In Stock Beijing Inquiry
5g -- 1 In Stock Beijing Inquiry
10g -- 1 In Stock Hong Kong Inquiry

118080-79-8 / tert-butyl N-[(2S)-but-3-yn-2-yl]carbamate

TERT-BUTYL N-(BUT-3-YN-2-YL)CARBAMATE | RefChem:896356 | 995-965-6

Standard CAS: 118080-79-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
118080-79-8
Multi CAS
Yes
Molecular Formula
C9H15NO2
Molecular Weight
169.220000
Exact Mass
169.110279
SMILES
C[C@@H](C#C)NC(=O)OC(C)(C)C
InChI
InChI=1S/C9H15NO2/c1-6-7(2)10-8(11)12-9(3,4)5/h1,7H,2-5H3,(H,10,11)/t7-/m0/s1
InChIKey
AMWSEGBTTPQUKW-ZETCQYMHSA-N
Synonyms
TERT-BUTYL N-(BUT-3-YN-2-YL)CARBAMATE RefChem:896356 995-965-6 tert-Butyl but-3-yn-2-ylcarbamate Tert-butyl N-but-3-yn-2-ylcarbamate

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.66
TPSA
38.33

LogP / Solubility

WLOGP
1.53
MLOGP
1.35
XLogP3
1.4
Consensus LogP
1.43
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-2.05
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
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)
-2.66

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
2

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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