CAS
914349-69-2 Purity
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914349-69-2 Purity
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Carbamic acid,(5-bromopyrazinyl)-, 1,1-dimethylethyl ester (9CI)
CAS
914349-79-4
Catalog Number
ACM914349794
Category
Other Products
Molecular Weight
274.11
Molecular Formula
C9H12 Br N3 O2
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Specification
Synonyms
(5-BROMOPYRAZIN-2-YL)CARBAMIC ACID TERT-BUTYL ESTER;(5-BROMOPYRAZINYL)CARBAMIC ACID 1,1-DIMETHYLETHYL ESTER;N-Boc-2-Amino-5-bromopyrazine
IUPAC Name
tert-butyl N-(5-bromopyrazin-2-yl)carbamate
Canonical SMILES
CC(C)(C)OC(=O)NC1=CN=C(C=N1)Br
InChI Key
PNYUSBALYDXDRK-UHFFFAOYSA-N
Boiling Point
295.2ºC at 760 mmHg
Flash Point
132.3ºC
Density
1.513g/cm³
Exact Mass
273.01100
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of Carbamic acid,(5-bromopyrazinyl)-, 1,1-dimethylethyl ester (9CI)?
The molecular formula is C9H12BrN3O2.
When was Carbamic acid,(5-bromopyrazinyl)-, 1,1-dimethylethyl ester (9CI) created in PubChem?
It was created on 2009-07-21.
What is the IUPAC Name of Carbamic acid,(5-bromopyrazinyl)-, 1,1-dimethylethyl ester (9CI)?
The IUPAC Name is tert-butyl N-(5-bromopyrazin-2-yl)carbamate.
What is the InChIKey of Carbamic acid,(5-bromopyrazinyl)-, 1,1-dimethylethyl ester (9CI)?
The InChIKey is PNYUSBALYDXDRK-UHFFFAOYSA-N.
What is the Canonical SMILES of Carbamic acid,(5-bromopyrazinyl)-, 1,1-dimethylethyl ester (9CI)?
The Canonical SMILES is CC(C)(C)OC(=O)NC1=CN=C(C=N1)Br.
What is the molecular weight of Carbamic acid,(5-bromopyrazinyl)-, 1,1-dimethylethyl ester (9CI)?
The molecular weight is 274.11 g/mol.
What is the CAS identifier for Carbamic acid,(5-bromopyrazinyl)-, 1,1-dimethylethyl ester (9CI)?
The CAS identifier is 914349-79-4.
How many hydrogen bond donor counts does Carbamic acid,(5-bromopyrazinyl)-, 1,1-dimethylethyl ester (9CI) have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of Carbamic acid,(5-bromopyrazinyl)-, 1,1-dimethylethyl ester (9CI)?
The topological polar surface area is 64.1 Ų.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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