4-Phenylbutylamine - CAS 13214-66-9

Name: 4-Phenylbutylamine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB007550
Product Name:	4-Phenylbutylamine
CAS:	13214-66-9
Synonyms:	4-phenylbutan-1-amine

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	4-phenylbutan-1-amine
Description:	4-Phenylbutylamine (CAS# 13214-66-9) is a useful research chemical.
Molecular Weight:	149.23
Molecular Formula:	C10H15N
Canonical SMILES:	C1=CC=C(C=C1)CCCCN
InChI:	InChI=1S/C10H15N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,11H2
InChI Key:	AGNFWIZBEATIAK-UHFFFAOYSA-N
Boiling Point:	123-124 °C (17 torr)
Purity:	98 %
Density:	0.944 g/mL at 25 °C (lit.)
Appearance:	Colorless to faint yellow liquid
Storage:	Keep in dark place, Inert atmosphere, Room temperature
MDL:	MFCD00008231
LogP:	2.66830
Vapor Pressure:	0.03 [mmHg]

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Related Functional Groups

Nitrogen Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1170836-25-5]C8H11N3O2
1-Cyclopentyl-5-nitro-1H-pyrazole
[55877-31-1]C9H5NO
1-Benzofuran-3-carbonitrile
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

GHS Hazard Statement:	H314 (11.36%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-111848507-A	Isoniazid derivative, homogeneous enzyme immunoassay reagent and preparation method	20200723
CN-111875587-A	5-fluorocytosine derivative, preparation method thereof and application thereof in 5-fluorocytosine immunodetection reagent	20200723
CN-111875587-B	5-fluorocytosine derivative, preparation method thereof and application thereof in 5-fluorocytosine immunodetection reagent	20200723
WO-2021201036-A1	Hydroxypyrrolidine derivative and medicinal application thereof	20200331
JP-2021155578-A	Ethylene / Î±-olefin / non-conjugated polyene copolymer composition and its use	20200327

PMID	Publication Date	Title	Journal
32879258	20200101	The role of endoplasmic reticulum stress in renal damage caused by acute mercury chloride poisoning	The Journal of toxicological sciences
30394307	20190201	HERP depletion inhibits zearalenone-induced apoptosis through autophagy activation in mouse ovarian granulosa cells	Toxicology letters
24291486	20140106	Lipid peroxidation end product 4-hydroxy-trans-2-nonenal triggers unfolded protein response and heme oxygenase-1 expression in PC12 cells: Roles of ROS and MAPK pathways	Toxicology
22935961	20121101	Mechanisms of modified LDL-induced pericyte loss and retinal injury in diabetic retinopathy	Diabetologia
22445861	20120801	Endoplasmic reticulum stress mediates aristolochic acid I-induced apoptosis in human renal proximal tubular epithelial cells	Toxicology in vitro : an international journal published in association with BIBRA

Complexity:	84.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	149.120449483
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	149.120449483
Rotatable Bond Count:	4
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4