tert-butyl N-[(1H-pyrazol-4-yl)methyl]carbamate, 95%

Name: tert-butyl N-[(1H-pyrazol-4-yl)methyl]carbamate
Brand: Chempure

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CAS Number

1107620-72-3

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About this item

IUPAC name	tert-butyl N-(1H-pyrazol-4-ylmethyl)carbamate
inchi	InChI=1S/C9H15N3O2/c1-9(2,3)14-8(13)10-4-7-5-11-12-6-7/h5-6H,4H2,1-3H3,(H,10,13)(H,11,12)
inchi key	QHQQGFZVUMTRDH-UHFFFAOYSA-N
molecular formula	C9H15N3O2
synonyms	4-(Boc-aminomethyl)pyrazole 1107620-72-3 tert-butyl N-(1H-pyrazol-4-ylmethyl)carbamate MFCD12820298 SCHEMBL18632887

Computed Properties

Molecular Weight:	197.23 g/mol
XLogP3:	0.7
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	4
Exact Mass:	197.116426730 g/mol
Monoisotopic Mass:	197.116426730 g/mol
Topological Polar Surface Area:	67 Å²
Heavy Atom Count:	14
Formal Charge:	0
Complexity:	201
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (50%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	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
hazard statements	H302 (50%): 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]

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Product No: BA0055

tert-butyl N-[(1H-pyrazol-4-yl)methyl]carbamate, 95%

Product No: BA0055

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Product No: BA0055

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?