sodium 1-[(benzyloxy)carbonyl]piperidine-4-sulfinate, 95%

Name: sodium 1-[(benzyloxy)carbonyl]piperidine-4-sulfinate
Brand: Chempure

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CAS Number

1616974-33-4

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IUPAC name	sodium;1-phenylmethoxycarbonylpiperidine-4-sulfinate
inchi	InChI=1S/C13H17NO4S.Na/c15-13(18-10-11-4-2-1-3-5-11)14-8-6-12(7-9-14)19(16)17;/h1-5,12H,6-10H2,(H,16,17);/q;+1/p-1
inchi key	LCXWFQBBQAGBHZ-UHFFFAOYSA-M
molecular formula	C13H16NNaO4S
synonyms	1616974-33-4 Sodium N-benzyloxycarbonyl-4-piperidinesulfinate sodium 1-[(benzyloxy)carbonyl]piperidine-4-sulfinate Sodium 1-((benzyloxy)carbonyl)piperidine-4-sulfinate sodium;1-phenylmethoxycarbonylpiperidine-4-sulfinate

Computed Properties

Molecular Weight:	305.33 g/mol
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	5
Rotatable Bond Count:	4
Exact Mass:	305.06977345 g/mol
Monoisotopic Mass:	305.06977345 g/mol
Topological Polar Surface Area:	88.9 Å²
Heavy Atom Count:	20
Formal Charge:	0
Complexity:	328
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:	2
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	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: BM0741

sodium 1-[(benzyloxy)carbonyl]piperidine-4-sulfinate, 95%

Product No: BM0741

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Product No: BM0741

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SAFETY AND HAZARDS

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