4-아미노-테트라히드로-피란-4-카르복실산

4-aminotetrahydro-2H-pyran-4-carboxylic acid

HCID 2734401

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 39124-20-4
표준 SMILES: NC1(C(=O)O)CCOCC1
InChIKey: DPDPQQHHTHKSRN-UHFFFAOYSA-N
분자식: C6H11NO3
평균 분자량: 145.16 g/mol
단동위원소 질량: 145.07389321

이름 및 식별자

우선 이름: 4-aminotetrahydro-2H-pyran-4-carboxylic acid
IUPAC: 4-aminooxane-4-carboxylic acid
현지명: 4-아미노-테트라히드로-피란-4-카르복실산
영어명: 4-Amino-tetrahydro-pyran-4-carboxylic acid
분자식: C6H11NO3
분자량: 145.16

이름 및 동의어

39124-20-44-aminotetrahydro-2H-pyran-4-carboxylic acidDTXSID10370286RefChem:518309DTXCID40321322803-864-44-aminooxane-4-carboxylic Acid4-Aminotetrahydropyran-4-carboxylic Acid4-Amino-tetrahydro-pyran-4-carboxylic acidMFCD066561122H-PYRAN-4-CARBOXYLIC ACID, 4-AMINOTETRAHYDRO-CHEMBL296778

이름 더 보기

4-아미노-테트라히드로-피란-4-카르복실산H-THPGly-OHH-THP-OH1,1-AC-PYRAN4-AMINOTETRAHYDRO-2H-PYRAN-4-C4-azaniumyloxane-4-carboxylate4-ammoniotetrahydropyran-4-carboxylate4-ammonio-4-tetrahydropyrancarboxylate4-azaniumyltetrahydropyran-4-carboxylate

4-amino-2H-3,4,5,6-tetrahydropyran-4-carboxylic acidZA6UM8GBA44-AMINO-4-TETRAHYDROPYRANCARBOXYLIC ACIDSCHEMBL1586024-amino-4-carboxytetrahydropyranALBB-014762BDBM50070634SBB027210

데이터베이스 식별자

CAS: 39124-20-4
PubChem CID: 2734401
DTXSID: DTXSID10370286
ChEMBL: CHEMBL296778
UNII: ZA6UM8GBA4
EC Number: 803-864-4

물성

구조 계산 물성

XLogP: -3.2
극성 표면적: 72.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 140

물리화학적 성질

녹는점: 265 °C · >265°C (dec.)
끓는 점: 299.4 · 299.4±40.0 °C(Predicted)
밀도: 1.254 · 1.254±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 알칼리성 용액(약간 용해됨), 물(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 2.06 · 2.06±0.20(Predicted)
색상: 회백색
InChI: InChI=1S/C6H11NO3/c7-6(5(8)9)1-3-10-4-2-6/h1-4,7H2,(H,8,9)
InChIKey: DPDPQQHHTHKSRN-UHFFFAOYSA-N
SMILES: C1OCCC(N)(C(O)=O)C1

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (97.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.