4-(Boc-amino)benzaldehyde - CAS 144072-30-0

Name: 4-(Boc-amino)benzaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB009723
Product Name:	4-(Boc-amino)benzaldehyde
CAS:	144072-30-0
Synonyms:	tert-butyl N-(4-formylphenyl)carbamate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	tert-butyl N-(4-formylphenyl)carbamate
Description:	4-(Boc-amino)benzaldehyde (CAS# 144072-30-0) is a useful research chemical.
Molecular Weight:	221.25
Molecular Formula:	C12H15NO3
Canonical SMILES:	CC(C)(C)OC(=O)NC1=CC=C(C=C1)C=O
InChI:	InChI=1S/C12H15NO3/c1-12(2,3)16-11(15)13-10-6-4-9(8-14)5-7-10/h4-8H,1-3H3,(H,13,15)
InChI Key:	SVQVBAUJEKSBEC-UHFFFAOYSA-N
Boiling Point:	297.6 °C at 760 mmHg
Purity:	98 %
Density:	1.163 g/cm³
MDL:	MFCD06245541
LogP:	2.91910

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[17746-05-3]C11H21ClO
Undecanoyl chloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[91552-11-3]C10H9ClO2
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

Nitrogen Compounds

[62838-59-9]C8H12N2
1-Cyclopentyl-1H-pyrazole
[1243387-55-4]C10H8F3NO3
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[55877-31-1]C9H5NO
1-Benzofuran-3-carbonitrile
[618-40-6]C7H10N2
1-Methyl-1-phenylhydrazine
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[862649-86-3]C12H8ClNO5S
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P285, P301+P312, P304+P341, P330, P342+P311, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-111362942-A	Sophoridine derivative with multi-target anti-tumor activity and preparation method and application thereof	20200511
CN-111302966-A	Preparation method of mirabegron intermediate	20200403
WO-2021188948-A1	Mdm2 degraders and uses thereof	20200319
WO-2021158707-A1	Methods and compounds for the treatment of genetic disease	20200203
US-2021231574-A1	Diagnostic test kits for sample preparation and analysis	20191113

Complexity:	250
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	221.10519334
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	221.10519334
Rotatable Bond Count:	4
Topological Polar Surface Area:	55.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9