N-Cbz-guanidine

Basic Information

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CAS Number

16706-54-0

Molecular Formula

C9H11N3O2

Molecular Weight

193.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

SMILES

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C1=CC=C(C=C1)COC(=O)N=C(N)N

InChI

InChI=1S/C9H11N3O2/c10-8(11)12-9(13)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H4,10,11,12,13)

InChIKey

FZOCFRPFPKJHHP-UHFFFAOYSA-N

LogP

0.5966000000000002

Topological Polar Surface Area

90.69999999999999 Å²

Hydrogen Bond Donor/Acceptor

4 / 5

Complexity

218

Synonyms & References

English

Carbamic acid, (aminoiminomethyl)-, phenylmethyl ester
benzyl N-(hydrazinylmethylidene)carbamate
Benzyl amidinocarbamate
Benzyl N-(diaminomethylidene)carbamate
FZOCFRPFPKJHHP-UHFFFAOYSA-N
N-benzyloxycarbonyl guanidine
MFCD09908206
AKOS006313666
C93432
16706-54-0
Phenylmethyl N-(aminoiminomethyl)carbamate
CS-0209170
DB-208336
N-benzyloxycarbonylguanidine
N-carbobenzyloxyguanidine
N-Cbz-guanidine
N-carbobenzyloxy-guanidine
AS-11263
SCHEMBL1763734

MDL Number

MFCD09908206

FAQ

What are the physical and chemical properties of N-Cbz-guanidine (CAS: 16706-54-0)?

N-Cbz-guanidine is a white crystalline solid with a molecular weight of approximately 301.32 g/mol. It is sparingly soluble in water but soluble in organic solvents like methanol and ethanol. Chemically, it exhibits basic properties and is relatively stable under normal conditions but can react with acids to form salts.

How is N-Cbz-guanidine (CAS: 16706-54-0) typically synthesized?

N-Cbz-guanidine is synthesized by the amidation of guanidine with p-chlorobenzyl chlorides. This reaction is typically catalyzed by a phase-transfer catalyst and proceeds with good yield. The product is then purified by recrystallization from appropriate solvents.

What industries use N-Cbz-guanidine (CAS: 16706-54-0)?

N-Cbz-guanidine is primarily used in the pharmaceutical industry for the synthesis of various bioactive compounds. It is also utilized in polymer science for the modification of polymer properties and in sensor technology for its specific reactivity with certain functional groups.

What precautions should be taken when handling N-Cbz-guanidine (CAS: 16706-54-0)?

When handling N-Cbz-guanidine, it is important to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately with appropriate absorbents and the area should be thoroughly washed. Refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.