CAS 507264-66-6 tert-butyl N-(1-carbamoylcyclopropyl)carbamate (HCID 20825554)

Substructure search Find similar structures

Basic information

CAS: 507264-66-6
Standard SMILES: CC(C)(C)OC(=O)NC1(C(N)=O)CC1
InChIKey: BYZODTZQTOHBGD-UHFFFAOYSA-N
Molecular formula: C9H16N2O3
Average molar mass: 200.23 g/mol
Monoisotopic mass: 200.11609238

Names & identifiers

Preferred name: tert-butyl N-(1-carbamoylcyclopropyl)carbamate
IUPAC: tert-butyl N-(1-carbamoylcyclopropyl)carbamate
English name: Carbamic acid, [1-(aminocarbonyl)cyclopropyl]-, 1,1-dimethylethyl ester (9CI)
Molecular formula: C9H16N2O3
Molecular weight: 200.23

Names & synonyms

507264-66-6tert-butyl N-(1-carbamoylcyclopropyl)carbamateRefChem:895343829-194-2tert-Butyl (1-carbamoylcyclopropyl)carbamateCarbamic acid, [1-(aminocarbonyl)cyclopropyl]-, 1,1-dimethylethyl ester (9CI)MFCD18969417SCHEMBL2392486BYZODTZQTOHBGD-UHFFFAOYSA-NHVA26466AT27256tert-butyl 1-carbamoylcyclopropylcarbamate

Show more names

Carbamic acid, N-[1-(aminocarbonyl)cyclopropyl]-, 1,1-dimethylethyl ester

tert-Butyl(1-carbamoylcyclopropyl)carbamateDB-210273CS-0128055EN300-96064tert-butyl (1-carbamoyl-cyclopropyl)-carbamatetert-butyl N-(1-aminocarbonylcyclopropyl)carbamateA1-00492(1-carbamoyl-cyclopropyl)-carbamic acid tert-butyl ester

Database identifiers

CAS: 507264-66-6
PubChem CID: 20825554
EC Number: 829-194-2

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 81.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 264

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

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]

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 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.